HEADER ---- XX-XXX-9- xxxx COMPND --- REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0003 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 16.29 REMARK 3 DATA CUTOFF (SIGMA(F)) : NONE REMARK 3 COMPLETENESS FOR RANGE (%) : 97.00 REMARK 3 NUMBER OF REFLECTIONS : 16150 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : .25316 REMARK 3 R VALUE (WORKING SET) : .25140 REMARK 3 FREE R VALUE : .28544 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.1 REMARK 3 FREE R VALUE TEST SET COUNT : 873 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH : 1.846 REMARK 3 BIN RESOLUTION RANGE LOW : 1.894 REMARK 3 REFLECTION IN BIN (WORKING SET) : 979 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 82.18 REMARK 3 BIN R VALUE (WORKING SET) : .269 REMARK 3 BIN FREE R VALUE SET COUNT : 40 REMARK 3 BIN FREE R VALUE : .302 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 ALL ATOMS : 1465 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.443 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -.05 REMARK 3 B22 (A**2) : .09 REMARK 3 B33 (A**2) : -.04 REMARK 3 B12 (A**2) : .00 REMARK 3 B13 (A**2) : .00 REMARK 3 B23 (A**2) : .00 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): .180 REMARK 3 ESU BASED ON FREE R VALUE (A): .163 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): .109 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.499 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : .902 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : .878 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1501 ; .025 ; .021 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2053 ; 2.034 ; 1.937 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 186 ; 6.418 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 73 ;28.075 ;23.699 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 210 ;14.202 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 10 ;19.047 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 229 ; .160 ; .200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1184 ; .011 ; .020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 602 ; .323 ; .200 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1072 ; .323 ; .200 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 32 ; .149 ; .200 REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 24 ; .185 ; .200 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 1 ; .029 ; .200 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 959 ; 1.557 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1522 ; 2.281 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 620 ; 3.521 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 531 ; 4.911 ; 4.500 REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : .80 REMARK 3 SHRINKAGE RADIUS : .80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 3 SSBOND 1 CYS B 7 CYS B 96 CISPEP 1 GLY A 26 PRO A 27 .00 CISPEP 2 GLY B 26 PRO B 27 .00 CRYST1 64.897 78.323 38.792 90.00 90.00 90.00 P 21 21 21 SCALE1 0.015409 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012768 0.000000 0.00000 SCALE3 0.000000 0.000000 0.025779 0.00000 ATOM 1 N ASP A 1 44.878 12.955 8.761 1.00 30.17 N ATOM 2 CA ASP A 1 44.890 12.445 7.357 1.00 31.68 C ATOM 3 CB ASP A 1 44.180 13.429 6.432 1.00 32.29 C ATOM 4 CG ASP A 1 42.784 13.744 6.923 1.00 38.46 C ATOM 5 OD1 ASP A 1 41.819 13.238 6.307 1.00 44.28 O ATOM 6 OD2 ASP A 1 42.572 14.407 7.974 1.00 43.06 O ATOM 7 C ASP A 1 46.320 12.393 6.930 1.00 30.58 C ATOM 8 O ASP A 1 47.143 13.111 7.461 1.00 29.09 O ATOM 9 N VAL A 2 46.587 11.527 5.957 1.00 30.73 N ATOM 10 CA VAL A 2 47.885 11.378 5.361 1.00 28.02 C ATOM 11 CB VAL A 2 48.004 9.886 4.807 1.00 30.03 C ATOM 12 CG1 VAL A 2 49.230 9.666 3.896 1.00 27.22 C ATOM 13 CG2 VAL A 2 47.926 8.812 6.014 1.00 30.09 C ATOM 14 C VAL A 2 48.151 12.473 4.315 1.00 29.10 C ATOM 15 O VAL A 2 47.338 12.650 3.430 1.00 25.53 O ATOM 16 N SER A 3 49.314 13.157 4.367 1.00 26.99 N ATOM 17 CA SER A 3 49.605 14.216 3.382 1.00 28.87 C ATOM 18 CB SER A 3 50.637 15.191 3.926 1.00 28.78 C ATOM 19 OG SER A 3 50.130 15.790 5.118 1.00 31.13 O ATOM 20 C SER A 3 49.967 13.819 1.930 1.00 29.55 C ATOM 21 O SER A 3 50.236 14.703 1.092 1.00 33.19 O ATOM 22 N GLY A 4 49.925 12.546 1.589 1.00 27.57 N ATOM 23 CA GLY A 4 50.259 12.135 0.238 1.00 24.85 C ATOM 24 C GLY A 4 51.335 11.064 0.334 1.00 22.78 C ATOM 25 O GLY A 4 51.651 10.579 1.421 1.00 22.49 O ATOM 26 N THR A 5 51.874 10.721 -0.824 1.00 20.33 N ATOM 27 CA THR A 5 52.898 9.688 -0.987 1.00 18.54 C ATOM 28 CB THR A 5 52.335 8.667 -1.999 1.00 19.68 C ATOM 29 OG1 THR A 5 51.247 7.965 -1.368 1.00 21.89 O ATOM 30 CG2 THR A 5 53.267 7.545 -2.263 1.00 18.89 C ATOM 31 C THR A 5 54.161 10.380 -1.511 1.00 17.75 C ATOM 32 O THR A 5 54.093 11.360 -2.287 1.00 17.67 O ATOM 33 N VAL A 6 55.313 9.900 -1.093 1.00 13.57 N ATOM 34 CA VAL A 6 56.547 10.528 -1.503 1.00 11.96 C ATOM 35 CB VAL A 6 57.105 11.395 -0.377 1.00 12.24 C ATOM 36 CG1 VAL A 6 57.204 10.575 0.946 1.00 17.32 C ATOM 37 CG2 VAL A 6 58.489 12.001 -0.746 1.00 13.36 C ATOM 38 C VAL A 6 57.492 9.382 -1.859 1.00 11.59 C ATOM 39 O VAL A 6 57.574 8.371 -1.139 1.00 10.23 O ATOM 40 N CYS A 7 58.229 9.559 -2.920 1.00 9.50 N ATOM 41 CA CYS A 7 59.247 8.530 -3.244 1.00 9.78 C ATOM 42 CB CYS A 7 59.900 8.720 -4.611 1.00 11.73 C ATOM 43 SG CYS A 7 58.692 8.696 -5.925 1.00 13.97 S ATOM 44 C CYS A 7 60.331 8.506 -2.274 1.00 9.15 C ATOM 45 O CYS A 7 60.798 9.550 -1.766 1.00 12.06 O ATOM 46 N LEU A 8 60.773 7.285 -1.984 1.00 9.54 N ATOM 47 CA LEU A 8 61.898 7.140 -1.057 1.00 8.75 C ATOM 48 CB LEU A 8 62.323 5.648 -1.074 1.00 8.11 C ATOM 49 CG LEU A 8 63.428 5.234 -0.092 1.00 10.34 C ATOM 50 CD1 LEU A 8 63.121 5.770 1.293 1.00 12.47 C ATOM 51 CD2 LEU A 8 63.625 3.759 -0.169 1.00 9.33 C ATOM 52 C LEU A 8 63.122 7.977 -1.494 1.00 10.42 C ATOM 53 O LEU A 8 63.899 8.509 -0.643 1.00 10.96 O ATOM 54 N SER A 9 63.356 8.045 -2.805 1.00 12.91 N ATOM 55 CA SER A 9 64.598 8.667 -3.317 1.00 13.17 C ATOM 56 CB SER A 9 64.769 8.434 -4.830 1.00 15.75 C ATOM 57 OG SER A 9 63.698 9.018 -5.557 1.00 16.27 O ATOM 58 C SER A 9 64.448 10.126 -3.024 1.00 15.10 C ATOM 59 O SER A 9 65.444 10.866 -3.020 1.00 14.36 O ATOM 60 N ALA A 10 63.237 10.582 -2.719 1.00 15.07 N ATOM 61 CA ALA A 10 63.083 12.034 -2.481 1.00 15.69 C ATOM 62 CB ALA A 10 61.761 12.578 -3.024 1.00 15.46 C ATOM 63 C ALA A 10 63.295 12.446 -1.039 1.00 17.07 C ATOM 64 O ALA A 10 63.373 13.654 -0.726 1.00 18.42 O ATOM 65 N LEU A 11 63.378 11.477 -0.149 1.00 15.28 N ATOM 66 CA LEU A 11 63.455 11.764 1.268 1.00 16.74 C ATOM 67 CB LEU A 11 62.744 10.595 2.054 1.00 16.60 C ATOM 68 CG LEU A 11 61.239 10.561 1.866 1.00 16.07 C ATOM 69 CD1 LEU A 11 60.798 9.238 2.519 1.00 16.94 C ATOM 70 CD2 LEU A 11 60.584 11.820 2.558 1.00 15.43 C ATOM 71 C LEU A 11 64.939 11.768 1.668 1.00 17.62 C ATOM 72 O LEU A 11 65.741 11.259 0.890 1.00 16.97 O ATOM 73 N PRO A 12 65.327 12.301 2.840 1.00 17.72 N ATOM 74 CA PRO A 12 66.776 12.271 3.213 1.00 17.54 C ATOM 75 CB PRO A 12 66.789 12.728 4.675 1.00 19.11 C ATOM 76 CG PRO A 12 65.456 13.562 4.868 1.00 20.07 C ATOM 77 CD PRO A 12 64.489 12.837 3.934 1.00 20.19 C ATOM 78 C PRO A 12 67.325 10.835 3.110 1.00 16.93 C ATOM 79 O PRO A 12 66.568 9.888 3.347 1.00 15.23 O ATOM 80 N PRO A 13 68.627 10.650 2.827 1.00 16.98 N ATOM 81 CA PRO A 13 69.189 9.299 2.674 1.00 15.86 C ATOM 82 CB PRO A 13 70.705 9.574 2.393 1.00 18.13 C ATOM 83 CG PRO A 13 70.961 10.937 3.017 1.00 19.39 C ATOM 84 CD PRO A 13 69.653 11.691 2.655 1.00 18.51 C ATOM 85 C PRO A 13 69.056 8.475 3.959 1.00 13.65 C ATOM 86 O PRO A 13 69.054 7.229 3.906 1.00 12.98 O ATOM 87 N GLU A 14 69.007 9.166 5.107 1.00 12.81 N ATOM 88 CA GLU A 14 68.918 8.431 6.399 1.00 12.78 C ATOM 89 CB GLU A 14 68.976 9.391 7.577 1.00 14.84 C ATOM 90 CG GLU A 14 70.345 10.048 7.745 1.00 17.42 C ATOM 91 CD GLU A 14 70.663 11.171 6.769 1.00 21.58 C ATOM 92 OE1 GLU A 14 69.750 11.829 6.192 1.00 17.05 O ATOM 93 OE2 GLU A 14 71.881 11.419 6.589 1.00 24.84 O ATOM 94 C GLU A 14 67.583 7.674 6.455 1.00 11.12 C ATOM 95 O GLU A 14 67.471 6.688 7.194 1.00 9.89 O ATOM 96 N ALA A 15 66.541 8.146 5.745 1.00 9.48 N ATOM 97 CA ALA A 15 65.273 7.323 5.734 1.00 10.16 C ATOM 98 CB ALA A 15 64.178 8.088 4.872 1.00 11.95 C ATOM 99 C ALA A 15 65.499 5.929 5.101 1.00 11.04 C ATOM 100 O ALA A 15 64.914 4.882 5.479 1.00 10.76 O ATOM 101 N THR A 16 66.295 5.906 4.021 1.00 11.14 N ATOM 102 CA THR A 16 66.687 4.641 3.451 1.00 10.40 C ATOM 103 CB THR A 16 67.579 4.926 2.206 1.00 13.01 C ATOM 104 OG1 THR A 16 66.730 5.532 1.246 1.00 9.95 O ATOM 105 CG2 THR A 16 67.937 3.660 1.535 1.00 13.64 C ATOM 106 C THR A 16 67.374 3.700 4.467 1.00 11.99 C ATOM 107 O THR A 16 67.150 2.444 4.466 1.00 11.64 O ATOM 108 N ASP A 17 68.261 4.297 5.261 1.00 9.41 N ATOM 109 CA ASP A 17 68.980 3.610 6.278 1.00 10.46 C ATOM 110 CB ASP A 17 69.854 4.646 7.005 1.00 11.04 C ATOM 111 CG ASP A 17 71.067 5.060 6.161 1.00 14.50 C ATOM 112 OD1 ASP A 17 71.743 6.031 6.620 1.00 13.78 O ATOM 113 OD2 ASP A 17 71.485 4.383 5.154 1.00 15.74 O ATOM 114 C ASP A 17 68.029 2.980 7.264 1.00 10.67 C ATOM 115 O ASP A 17 68.160 1.811 7.547 1.00 11.55 O ATOM 116 N THR A 18 67.030 3.733 7.729 1.00 10.88 N ATOM 117 CA THR A 18 66.087 3.179 8.715 1.00 10.38 C ATOM 118 CB THR A 18 65.214 4.322 9.210 1.00 10.65 C ATOM 119 OG1 THR A 18 66.076 5.312 9.888 1.00 12.38 O ATOM 120 CG2 THR A 18 64.244 3.859 10.271 1.00 12.57 C ATOM 121 C THR A 18 65.280 2.056 8.070 1.00 10.26 C ATOM 122 O THR A 18 65.038 1.008 8.684 1.00 10.50 O ATOM 123 N LEU A 19 64.781 2.268 6.852 1.00 9.76 N ATOM 124 CA LEU A 19 64.003 1.164 6.226 1.00 10.54 C ATOM 125 CB LEU A 19 63.451 1.557 4.830 1.00 10.30 C ATOM 126 CG LEU A 19 62.285 2.529 4.954 1.00 14.83 C ATOM 127 CD1 LEU A 19 61.918 3.108 3.593 1.00 12.36 C ATOM 128 CD2 LEU A 19 61.066 1.873 5.641 1.00 14.63 C ATOM 129 C LEU A 19 64.855 -0.096 6.087 1.00 12.15 C ATOM 130 O LEU A 19 64.301 -1.212 6.192 1.00 12.65 O ATOM 131 N ASN A 20 66.183 0.047 5.875 1.00 11.32 N ATOM 132 CA ASN A 20 67.048 -1.123 5.708 1.00 13.98 C ATOM 133 CB ASN A 20 68.422 -0.769 5.087 1.00 16.39 C ATOM 134 CG ASN A 20 68.334 -0.655 3.556 1.00 17.44 C ATOM 135 OD1 ASN A 20 67.465 -1.271 2.963 1.00 26.54 O ATOM 136 ND2 ASN A 20 69.237 0.103 2.921 1.00 24.55 N ATOM 137 C ASN A 20 67.207 -1.866 7.042 1.00 12.25 C ATOM 138 O ASN A 20 67.181 -3.080 7.060 1.00 11.96 O ATOM 139 N LEU A 21 67.215 -1.104 8.134 1.00 9.75 N ATOM 140 CA LEU A 21 67.311 -1.716 9.410 1.00 10.96 C ATOM 141 CB LEU A 21 67.756 -0.679 10.490 1.00 10.68 C ATOM 142 CG LEU A 21 69.126 -0.051 10.291 1.00 13.48 C ATOM 143 CD1 LEU A 21 69.431 0.967 11.330 1.00 12.90 C ATOM 144 CD2 LEU A 21 70.221 -1.151 10.398 1.00 16.93 C ATOM 145 C LEU A 21 66.020 -2.409 9.764 1.00 12.66 C ATOM 146 O LEU A 21 66.032 -3.442 10.362 1.00 12.95 O ATOM 147 N ILE A 22 64.905 -1.805 9.412 1.00 12.20 N ATOM 148 CA ILE A 22 63.582 -2.398 9.720 1.00 12.31 C ATOM 149 CB ILE A 22 62.518 -1.410 9.329 1.00 12.61 C ATOM 150 CG1 ILE A 22 62.448 -0.196 10.288 1.00 12.21 C ATOM 151 CD1 ILE A 22 61.552 0.954 9.735 1.00 10.66 C ATOM 152 CG2 ILE A 22 61.167 -2.156 9.323 1.00 13.96 C ATOM 153 C ILE A 22 63.401 -3.753 8.983 1.00 13.23 C ATOM 154 O ILE A 22 63.016 -4.752 9.588 1.00 13.30 O ATOM 155 N ALA A 23 63.826 -3.818 7.722 1.00 14.31 N ATOM 156 CA ALA A 23 63.903 -5.089 6.955 1.00 14.74 C ATOM 157 CB ALA A 23 64.499 -4.825 5.619 1.00 16.78 C ATOM 158 C ALA A 23 64.722 -6.201 7.622 1.00 17.16 C ATOM 159 O ALA A 23 64.375 -7.394 7.554 1.00 18.08 O ATOM 160 N SER A 24 65.830 -5.817 8.226 1.00 19.26 N ATOM 161 CA SER A 24 66.776 -6.778 8.817 1.00 21.68 C ATOM 162 CB SER A 24 68.189 -6.277 8.560 1.00 21.11 C ATOM 163 OG SER A 24 68.438 -5.171 9.401 1.00 23.13 O ATOM 164 C SER A 24 66.513 -7.034 10.319 1.00 23.39 C ATOM 165 O SER A 24 67.319 -7.732 10.990 1.00 25.28 O ATOM 166 N ASP A 25 65.433 -6.444 10.833 1.00 24.24 N ATOM 167 CA ASP A 25 65.124 -6.401 12.243 1.00 25.61 C ATOM 168 CB ASP A 25 64.575 -7.752 12.752 1.00 27.02 C ATOM 169 CG ASP A 25 63.598 -7.585 13.885 1.00 32.57 C ATOM 170 OD1 ASP A 25 63.147 -8.621 14.399 1.00 41.72 O ATOM 171 OD2 ASP A 25 63.170 -6.479 14.326 1.00 38.77 O ATOM 172 C ASP A 25 66.338 -5.923 13.059 1.00 26.14 C ATOM 173 O ASP A 25 66.795 -6.568 14.049 1.00 24.98 O ATOM 174 N GLY A 26 66.890 -4.810 12.594 1.00 25.20 N ATOM 175 CA GLY A 26 67.897 -4.122 13.354 1.00 27.50 C ATOM 176 C GLY A 26 69.260 -4.724 13.068 1.00 27.85 C ATOM 177 O GLY A 26 69.467 -5.344 12.030 1.00 28.21 O ATOM 178 N PRO A 27 70.210 -4.454 13.956 1.00 27.51 N ATOM 179 CA PRO A 27 69.930 -3.747 15.187 1.00 25.34 C ATOM 180 CB PRO A 27 71.170 -4.065 16.039 1.00 27.00 C ATOM 181 CG PRO A 27 72.221 -4.030 15.031 1.00 27.88 C ATOM 182 CD PRO A 27 71.644 -4.766 13.825 1.00 28.60 C ATOM 183 C PRO A 27 69.792 -2.229 14.931 1.00 21.93 C ATOM 184 O PRO A 27 70.127 -1.714 13.862 1.00 21.27 O ATOM 185 N PHE A 28 69.288 -1.538 15.917 1.00 19.04 N ATOM 186 CA PHE A 28 68.941 -0.137 15.752 1.00 17.63 C ATOM 187 CB PHE A 28 67.487 0.032 16.126 1.00 17.39 C ATOM 188 CG PHE A 28 66.501 -0.757 15.236 1.00 14.65 C ATOM 189 CD1 PHE A 28 65.886 -1.924 15.724 1.00 21.20 C ATOM 190 CE1 PHE A 28 64.929 -2.612 14.969 1.00 24.83 C ATOM 191 CZ PHE A 28 64.583 -2.108 13.691 1.00 21.02 C ATOM 192 CE2 PHE A 28 65.166 -0.959 13.208 1.00 18.00 C ATOM 193 CD2 PHE A 28 66.119 -0.259 13.995 1.00 18.00 C ATOM 194 C PHE A 28 69.813 0.739 16.640 1.00 18.86 C ATOM 195 O PHE A 28 70.235 0.300 17.749 1.00 18.50 O ATOM 196 N PRO A 29 70.087 1.967 16.213 1.00 16.34 N ATOM 197 CA PRO A 29 70.927 2.820 17.021 1.00 18.67 C ATOM 198 CB PRO A 29 71.211 4.023 16.122 1.00 18.58 C ATOM 199 CG PRO A 29 70.173 3.902 14.973 1.00 19.74 C ATOM 200 CD PRO A 29 69.657 2.568 14.943 1.00 18.82 C ATOM 201 C PRO A 29 70.359 3.257 18.360 1.00 20.40 C ATOM 202 O PRO A 29 71.142 3.641 19.299 1.00 18.11 O ATOM 203 N TYR A 30 69.023 3.228 18.486 1.00 20.28 N ATOM 204 CA TYR A 30 68.430 3.676 19.692 1.00 20.66 C ATOM 205 CB TYR A 30 67.618 4.938 19.466 1.00 21.75 C ATOM 206 CG TYR A 30 68.362 6.196 19.088 1.00 21.97 C ATOM 207 CD1 TYR A 30 68.833 7.054 20.096 1.00 25.56 C ATOM 208 CE1 TYR A 30 69.464 8.226 19.803 1.00 20.85 C ATOM 209 CZ TYR A 30 69.666 8.580 18.487 1.00 22.64 C ATOM 210 OH TYR A 30 70.254 9.782 18.287 1.00 23.47 O ATOM 211 CE2 TYR A 30 69.202 7.776 17.421 1.00 17.29 C ATOM 212 CD2 TYR A 30 68.555 6.580 17.736 1.00 16.88 C ATOM 213 C TYR A 30 67.582 2.588 20.306 1.00 22.48 C ATOM 214 O TYR A 30 66.952 1.785 19.590 1.00 18.96 O ATOM 215 N SER A 31 67.617 2.506 21.639 1.00 22.61 N ATOM 216 CA SER A 31 66.909 1.421 22.318 1.00 26.54 C ATOM 217 CB SER A 31 67.182 1.395 23.813 1.00 25.93 C ATOM 218 OG SER A 31 67.122 0.032 24.159 1.00 32.48 O ATOM 219 C SER A 31 65.403 1.447 22.087 1.00 26.05 C ATOM 220 O SER A 31 64.791 0.376 21.893 1.00 27.66 O ATOM 221 N GLN A 32 64.884 2.675 22.086 1.00 27.56 N ATOM 222 CA GLN A 32 63.487 3.111 21.821 1.00 29.27 C ATOM 223 CB GLN A 32 63.410 4.691 21.791 1.00 28.93 C ATOM 224 CG GLN A 32 62.936 5.493 23.075 1.00 33.74 C ATOM 225 CD GLN A 32 61.911 6.710 22.799 1.00 34.11 C ATOM 226 OE1 GLN A 32 61.979 7.750 23.468 1.00 38.99 O ATOM 227 NE2 GLN A 32 61.005 6.544 21.825 1.00 39.15 N ATOM 228 C GLN A 32 62.983 2.692 20.431 1.00 27.88 C ATOM 229 O GLN A 32 61.730 2.690 20.178 1.00 28.61 O ATOM 230 N ASP A 33 63.909 2.455 19.483 1.00 24.08 N ATOM 231 CA ASP A 33 63.447 2.148 18.121 1.00 21.38 C ATOM 232 CB ASP A 33 64.656 1.948 17.200 1.00 20.52 C ATOM 233 CG ASP A 33 65.243 3.279 16.752 1.00 20.10 C ATOM 234 OD1 ASP A 33 66.371 3.298 16.189 1.00 19.79 O ATOM 235 OD2 ASP A 33 64.651 4.372 16.945 1.00 14.63 O ATOM 236 C ASP A 33 62.563 0.889 18.175 1.00 19.20 C ATOM 237 O ASP A 33 62.977 -0.130 18.761 1.00 18.64 O ATOM 238 N GLY A 34 61.360 0.934 17.578 1.00 16.50 N ATOM 239 CA GLY A 34 60.497 -0.207 17.609 1.00 16.07 C ATOM 240 C GLY A 34 59.380 -0.129 18.645 1.00 17.12 C ATOM 241 O GLY A 34 58.542 -1.003 18.663 1.00 18.51 O ATOM 242 N VAL A 35 59.392 0.840 19.560 1.00 17.78 N ATOM 243 CA VAL A 35 58.196 0.995 20.460 1.00 16.65 C ATOM 244 CB VAL A 35 58.408 2.051 21.510 1.00 17.58 C ATOM 245 CG1 VAL A 35 59.604 1.679 22.364 1.00 16.87 C ATOM 246 CG2 VAL A 35 58.581 3.434 20.860 1.00 18.73 C ATOM 247 C VAL A 35 56.894 1.293 19.670 1.00 15.58 C ATOM 248 O VAL A 35 56.922 1.696 18.496 1.00 12.95 O ATOM 249 N VAL A 36 55.754 1.099 20.334 1.00 14.82 N ATOM 250 CA VAL A 36 54.458 1.326 19.720 1.00 14.54 C ATOM 251 CB VAL A 36 53.280 0.651 20.560 1.00 14.36 C ATOM 252 CG1 VAL A 36 51.888 0.975 19.939 1.00 12.28 C ATOM 253 CG2 VAL A 36 53.474 -0.828 20.572 1.00 17.66 C ATOM 254 C VAL A 36 54.222 2.806 19.572 1.00 14.54 C ATOM 255 O VAL A 36 54.589 3.608 20.445 1.00 15.69 O ATOM 256 N PHE A 37 53.626 3.182 18.429 1.00 13.95 N ATOM 257 CA PHE A 37 53.154 4.527 18.185 1.00 13.07 C ATOM 258 CB PHE A 37 53.585 5.012 16.761 1.00 13.47 C ATOM 259 CG PHE A 37 53.031 6.373 16.410 1.00 14.19 C ATOM 260 CD1 PHE A 37 51.897 6.494 15.631 1.00 14.41 C ATOM 261 CE1 PHE A 37 51.394 7.742 15.336 1.00 13.81 C ATOM 262 CZ PHE A 37 52.000 8.883 15.867 1.00 12.30 C ATOM 263 CE2 PHE A 37 53.087 8.768 16.617 1.00 14.74 C ATOM 264 CD2 PHE A 37 53.612 7.540 16.916 1.00 10.54 C ATOM 265 C PHE A 37 51.655 4.467 18.353 1.00 13.23 C ATOM 266 O PHE A 37 51.039 3.625 17.758 1.00 11.63 O ATOM 267 N GLN A 38 51.082 5.276 19.259 1.00 13.43 N ATOM 268 CA GLN A 38 49.673 5.101 19.637 1.00 14.22 C ATOM 269 CB GLN A 38 49.442 5.825 20.973 1.00 16.30 C ATOM 270 CG GLN A 38 49.896 5.088 22.174 1.00 16.18 C ATOM 271 CD GLN A 38 49.451 5.862 23.413 1.00 23.73 C ATOM 272 OE1 GLN A 38 48.290 6.327 23.527 1.00 18.84 O ATOM 273 NE2 GLN A 38 50.396 6.036 24.327 1.00 28.18 N ATOM 274 C GLN A 38 48.664 5.728 18.665 1.00 14.72 C ATOM 275 O GLN A 38 47.497 5.328 18.650 1.00 13.57 O ATOM 276 N ASN A 39 49.109 6.676 17.858 1.00 13.13 N ATOM 277 CA ASN A 39 48.285 7.383 16.904 1.00 13.12 C ATOM 278 CB ASN A 39 47.690 6.402 15.848 1.00 14.45 C ATOM 279 CG ASN A 39 46.906 7.125 14.744 1.00 12.99 C ATOM 280 OD1 ASN A 39 47.320 8.191 14.313 1.00 15.46 O ATOM 281 ND2 ASN A 39 45.784 6.511 14.244 1.00 9.94 N ATOM 282 C ASN A 39 47.162 8.076 17.705 1.00 15.60 C ATOM 283 O ASN A 39 45.989 8.102 17.265 1.00 15.13 O ATOM 284 N ARG A 40 47.504 8.666 18.842 1.00 16.32 N ATOM 285 CA ARG A 40 46.538 9.221 19.792 1.00 16.53 C ATOM 286 CB ARG A 40 47.269 9.550 21.093 1.00 18.19 C ATOM 287 CG ARG A 40 46.687 10.636 21.928 1.00 21.61 C ATOM 288 CD ARG A 40 47.129 10.571 23.355 1.00 21.65 C ATOM 289 NE ARG A 40 46.730 9.305 23.914 1.00 29.49 N ATOM 290 CZ ARG A 40 46.976 8.904 25.138 1.00 33.77 C ATOM 291 NH1 ARG A 40 46.531 7.718 25.533 1.00 28.22 N ATOM 292 NH2 ARG A 40 47.668 9.683 25.976 1.00 36.33 N ATOM 293 C ARG A 40 45.726 10.437 19.286 1.00 16.10 C ATOM 294 O ARG A 40 44.562 10.620 19.587 1.00 16.42 O ATOM 295 N GLU A 41 46.374 11.225 18.462 1.00 13.57 N ATOM 296 CA GLU A 41 47.072 10.589 17.411 1.00 14.80 C ATOM 297 CB GLU A 41 48.584 10.806 17.453 1.00 15.64 C ATOM 298 CG GLU A 41 49.041 12.230 17.617 1.00 15.32 C ATOM 299 CD GLU A 41 49.480 12.491 18.992 1.00 23.65 C ATOM 300 OE1 GLU A 41 50.667 12.213 19.246 1.00 20.44 O ATOM 301 OE2 GLU A 41 48.654 12.949 19.817 1.00 22.34 O ATOM 302 C GLU A 41 46.485 10.875 16.061 1.00 15.36 C ATOM 303 O GLU A 41 47.246 10.968 15.080 1.00 14.75 O ATOM 304 N SER A 42 45.151 11.014 16.030 1.00 12.92 N ATOM 305 CA SER A 42 44.346 10.357 15.014 1.00 14.73 C ATOM 306 CB SER A 42 42.837 10.482 15.291 1.00 16.67 C ATOM 307 OG SER A 42 42.080 9.668 14.424 1.00 21.36 O ATOM 308 C SER A 42 44.696 10.875 13.617 1.00 15.66 C ATOM 309 O SER A 42 43.850 10.979 12.741 1.00 13.34 O ATOM 310 N VAL A 43 45.983 11.155 13.426 1.00 14.30 N ATOM 311 CA VAL A 43 46.431 11.581 12.101 1.00 14.08 C ATOM 312 CB VAL A 43 47.742 12.407 12.207 1.00 13.97 C ATOM 313 CG1 VAL A 43 48.205 12.921 10.827 1.00 16.38 C ATOM 314 CG2 VAL A 43 47.527 13.563 13.166 1.00 16.36 C ATOM 315 C VAL A 43 46.479 10.424 11.120 1.00 12.48 C ATOM 316 O VAL A 43 46.135 10.591 9.970 1.00 16.01 O ATOM 317 N LEU A 44 46.940 9.238 11.535 1.00 11.74 N ATOM 318 CA LEU A 44 46.903 8.047 10.705 1.00 11.59 C ATOM 319 CB LEU A 44 48.067 7.040 11.051 1.00 11.08 C ATOM 320 CG LEU A 44 49.450 7.714 11.093 1.00 12.49 C ATOM 321 CD1 LEU A 44 50.549 6.751 11.478 1.00 12.38 C ATOM 322 CD2 LEU A 44 49.774 8.323 9.738 1.00 17.91 C ATOM 323 C LEU A 44 45.535 7.344 10.726 1.00 13.43 C ATOM 324 O LEU A 44 44.775 7.554 11.689 1.00 13.89 O ATOM 325 N PRO A 45 45.263 6.443 9.768 1.00 14.55 N ATOM 326 CA PRO A 45 44.037 5.630 9.834 1.00 14.51 C ATOM 327 CB PRO A 45 44.224 4.618 8.735 1.00 18.10 C ATOM 328 CG PRO A 45 45.009 5.385 7.659 1.00 14.63 C ATOM 329 CD PRO A 45 46.010 6.169 8.526 1.00 14.16 C ATOM 330 C PRO A 45 43.899 4.946 11.209 1.00 15.37 C ATOM 331 O PRO A 45 44.866 4.484 11.779 1.00 14.23 O ATOM 332 N THR A 46 42.693 4.943 11.760 1.00 14.38 N ATOM 333 CA THR A 46 42.395 4.137 12.993 1.00 14.64 C ATOM 334 CB THR A 46 40.886 4.277 13.263 1.00 16.53 C ATOM 335 OG1 THR A 46 40.594 5.680 13.261 1.00 18.32 O ATOM 336 CG2 THR A 46 40.445 3.646 14.613 1.00 19.51 C ATOM 337 C THR A 46 42.700 2.678 12.867 1.00 12.70 C ATOM 338 O THR A 46 42.204 1.981 11.914 1.00 12.92 O ATOM 339 N GLN A 47 43.481 2.171 13.815 1.00 11.68 N ATOM 340 CA GLN A 47 43.838 0.734 13.811 1.00 12.99 C ATOM 341 CB GLN A 47 45.244 0.510 13.186 1.00 13.20 C ATOM 342 CG GLN A 47 45.314 0.849 11.698 1.00 10.43 C ATOM 343 CD GLN A 47 44.521 -0.046 10.738 1.00 17.23 C ATOM 344 OE1 GLN A 47 44.583 0.194 9.484 1.00 15.81 O ATOM 345 NE2 GLN A 47 43.830 -1.069 11.259 1.00 12.43 N ATOM 346 C GLN A 47 43.903 0.322 15.254 1.00 14.34 C ATOM 347 O GLN A 47 43.963 1.197 16.149 1.00 14.40 O ATOM 348 N SER A 48 44.031 -0.962 15.503 1.00 14.09 N ATOM 349 CA SER A 48 44.219 -1.444 16.889 1.00 14.93 C ATOM 350 CB SER A 48 44.211 -2.955 16.966 1.00 15.04 C ATOM 351 OG SER A 48 45.075 -3.504 15.916 1.00 20.82 O ATOM 352 C SER A 48 45.570 -0.967 17.433 1.00 13.84 C ATOM 353 O SER A 48 46.520 -0.597 16.658 1.00 12.63 O ATOM 354 N TYR A 49 45.677 -1.080 18.749 1.00 13.41 N ATOM 355 CA TYR A 49 46.868 -0.628 19.509 1.00 14.18 C ATOM 356 CB TYR A 49 46.627 -0.827 20.970 1.00 12.36 C ATOM 357 CG TYR A 49 47.862 -0.599 21.791 1.00 13.29 C ATOM 358 CD1 TYR A 49 48.496 -1.654 22.429 1.00 15.31 C ATOM 359 CE1 TYR A 49 49.643 -1.448 23.153 1.00 16.24 C ATOM 360 CZ TYR A 49 50.152 -0.187 23.312 1.00 16.53 C ATOM 361 OH TYR A 49 51.292 0.018 24.128 1.00 19.17 O ATOM 362 CE2 TYR A 49 49.554 0.891 22.730 1.00 16.12 C ATOM 363 CD2 TYR A 49 48.369 0.691 21.972 1.00 14.50 C ATOM 364 C TYR A 49 47.970 -1.584 19.154 1.00 13.39 C ATOM 365 O TYR A 49 47.728 -2.818 19.139 1.00 14.34 O ATOM 366 N GLY A 50 49.152 -1.069 18.814 1.00 12.31 N ATOM 367 CA GLY A 50 50.173 -1.975 18.415 1.00 11.85 C ATOM 368 C GLY A 50 50.268 -2.165 16.920 1.00 13.65 C ATOM 369 O GLY A 50 51.171 -2.857 16.435 1.00 13.31 O ATOM 370 N TYR A 51 49.351 -1.559 16.175 1.00 9.81 N ATOM 371 CA TYR A 51 49.417 -1.751 14.752 1.00 10.38 C ATOM 372 CB TYR A 51 48.101 -1.299 14.127 1.00 8.82 C ATOM 373 CG TYR A 51 48.029 -1.375 12.617 1.00 7.28 C ATOM 374 CD1 TYR A 51 47.344 -2.376 11.995 1.00 7.74 C ATOM 375 CE1 TYR A 51 47.284 -2.474 10.611 1.00 8.62 C ATOM 376 CZ TYR A 51 47.806 -1.535 9.834 1.00 9.92 C ATOM 377 OH TYR A 51 47.673 -1.628 8.465 1.00 10.94 O ATOM 378 CE2 TYR A 51 48.485 -0.465 10.422 1.00 9.74 C ATOM 379 CD2 TYR A 51 48.585 -0.392 11.820 1.00 7.72 C ATOM 380 C TYR A 51 50.567 -0.860 14.199 1.00 10.61 C ATOM 381 O TYR A 51 51.224 -1.237 13.179 1.00 10.34 O ATOM 382 N TYR A 52 50.858 0.247 14.878 1.00 9.28 N ATOM 383 CA TYR A 52 51.972 1.148 14.398 1.00 10.30 C ATOM 384 CB TYR A 52 51.502 2.620 14.361 1.00 10.20 C ATOM 385 CG TYR A 52 50.333 2.871 13.410 1.00 12.40 C ATOM 386 CD1 TYR A 52 49.036 3.201 13.894 1.00 12.33 C ATOM 387 CE1 TYR A 52 47.944 3.481 12.993 1.00 11.88 C ATOM 388 CZ TYR A 52 48.168 3.463 11.663 1.00 10.83 C ATOM 389 OH TYR A 52 47.168 3.723 10.746 1.00 13.53 O ATOM 390 CE2 TYR A 52 49.427 3.131 11.156 1.00 8.82 C ATOM 391 CD2 TYR A 52 50.516 2.853 12.038 1.00 8.60 C ATOM 392 C TYR A 52 53.183 1.096 15.355 1.00 11.70 C ATOM 393 O TYR A 52 53.028 0.961 16.587 1.00 8.82 O ATOM 394 N HIS A 53 54.390 1.229 14.786 1.00 11.41 N ATOM 395 CA HIS A 53 55.638 1.292 15.598 1.00 9.83 C ATOM 396 CB HIS A 53 56.398 -0.054 15.460 1.00 10.29 C ATOM 397 CG HIS A 53 55.663 -1.197 16.099 1.00 11.34 C ATOM 398 ND1 HIS A 53 54.722 -1.958 15.423 1.00 13.14 N ATOM 399 CE1 HIS A 53 54.227 -2.862 16.245 1.00 18.26 C ATOM 400 NE2 HIS A 53 54.773 -2.687 17.434 1.00 13.43 N ATOM 401 CD2 HIS A 53 55.660 -1.643 17.374 1.00 18.97 C ATOM 402 C HIS A 53 56.489 2.404 15.093 1.00 11.09 C ATOM 403 O HIS A 53 56.394 2.734 13.922 1.00 10.87 O ATOM 404 N GLU A 54 57.313 2.978 15.967 1.00 11.28 N ATOM 405 CA GLU A 54 58.092 4.177 15.666 1.00 11.30 C ATOM 406 CB GLU A 54 57.782 5.222 16.743 1.00 12.66 C ATOM 407 CG GLU A 54 58.551 6.527 16.718 1.00 19.56 C ATOM 408 CD GLU A 54 59.768 6.433 17.612 1.00 26.09 C ATOM 409 OE1 GLU A 54 60.879 6.629 17.086 1.00 28.87 O ATOM 410 OE2 GLU A 54 59.610 6.082 18.819 1.00 30.03 O ATOM 411 C GLU A 54 59.608 3.822 15.621 1.00 9.98 C ATOM 412 O GLU A 54 60.079 2.988 16.397 1.00 9.39 O ATOM 413 N TYR A 55 60.306 4.412 14.639 1.00 9.76 N ATOM 414 CA TYR A 55 61.751 4.236 14.419 1.00 10.90 C ATOM 415 CB TYR A 55 62.063 3.264 13.247 1.00 12.19 C ATOM 416 CG TYR A 55 61.477 1.878 13.480 1.00 14.64 C ATOM 417 CD1 TYR A 55 62.230 0.884 14.020 1.00 9.16 C ATOM 418 CE1 TYR A 55 61.683 -0.407 14.261 1.00 17.03 C ATOM 419 CZ TYR A 55 60.359 -0.660 13.894 1.00 15.45 C ATOM 420 OH TYR A 55 59.829 -1.898 14.153 1.00 13.60 O ATOM 421 CE2 TYR A 55 59.576 0.321 13.360 1.00 15.05 C ATOM 422 CD2 TYR A 55 60.139 1.592 13.121 1.00 8.77 C ATOM 423 C TYR A 55 62.401 5.576 14.121 1.00 12.01 C ATOM 424 O TYR A 55 61.865 6.391 13.347 1.00 11.95 O ATOM 425 N THR A 56 63.563 5.837 14.699 1.00 9.67 N ATOM 426 CA THR A 56 64.261 7.080 14.410 1.00 11.45 C ATOM 427 CB THR A 56 65.483 7.158 15.297 1.00 11.79 C ATOM 428 OG1 THR A 56 65.051 6.945 16.635 1.00 12.00 O ATOM 429 CG2 THR A 56 66.027 8.622 15.220 1.00 13.74 C ATOM 430 C THR A 56 64.804 7.138 13.002 1.00 9.94 C ATOM 431 O THR A 56 65.438 6.171 12.563 1.00 11.11 O ATOM 432 N VAL A 57 64.715 8.300 12.374 1.00 9.64 N ATOM 433 CA VAL A 57 65.519 8.627 11.208 1.00 9.71 C ATOM 434 CB VAL A 57 64.703 9.294 10.130 1.00 8.69 C ATOM 435 CG1 VAL A 57 65.581 9.763 8.980 1.00 9.94 C ATOM 436 CG2 VAL A 57 63.670 8.262 9.595 1.00 8.12 C ATOM 437 C VAL A 57 66.527 9.625 11.750 1.00 10.80 C ATOM 438 O VAL A 57 66.159 10.674 12.271 1.00 10.35 O ATOM 439 N ILE A 58 67.815 9.289 11.614 1.00 11.40 N ATOM 440 CA ILE A 58 68.842 10.125 12.277 1.00 11.73 C ATOM 441 CB ILE A 58 70.223 9.392 12.261 1.00 13.58 C ATOM 442 CG1 ILE A 58 70.285 8.271 13.337 1.00 11.79 C ATOM 443 CD1 ILE A 58 71.347 7.098 13.032 1.00 14.77 C ATOM 444 CG2 ILE A 58 71.384 10.493 12.397 1.00 12.57 C ATOM 445 C ILE A 58 68.926 11.455 11.545 1.00 12.44 C ATOM 446 O ILE A 58 68.840 11.476 10.322 1.00 11.84 O ATOM 447 N THR A 59 69.031 12.567 12.301 1.00 11.86 N ATOM 448 CA THR A 59 69.307 13.895 11.764 1.00 15.08 C ATOM 449 CB THR A 59 68.500 15.004 12.569 1.00 15.60 C ATOM 450 OG1 THR A 59 67.055 14.877 12.317 1.00 15.14 O ATOM 451 CG2 THR A 59 68.852 16.350 12.020 1.00 16.22 C ATOM 452 C THR A 59 70.832 14.154 11.907 1.00 15.69 C ATOM 453 O THR A 59 71.314 14.210 13.012 1.00 15.58 O ATOM 454 N PRO A 60 71.544 14.266 10.779 1.00 18.18 N ATOM 455 CA PRO A 60 72.988 14.557 10.745 1.00 19.08 C ATOM 456 CB PRO A 60 73.208 15.000 9.309 1.00 20.54 C ATOM 457 CG PRO A 60 72.109 14.356 8.515 1.00 20.97 C ATOM 458 CD PRO A 60 70.978 14.094 9.421 1.00 18.24 C ATOM 459 C PRO A 60 73.287 15.762 11.643 1.00 18.89 C ATOM 460 O PRO A 60 72.600 16.749 11.562 1.00 21.13 O ATOM 461 N GLY A 61 74.281 15.656 12.509 1.00 18.37 N ATOM 462 CA GLY A 61 74.679 16.765 13.401 1.00 19.21 C ATOM 463 C GLY A 61 73.923 16.852 14.710 1.00 17.63 C ATOM 464 O GLY A 61 74.424 17.480 15.675 1.00 19.60 O ATOM 465 N ALA A 62 72.715 16.271 14.778 1.00 16.61 N ATOM 466 CA ALA A 62 71.905 16.326 15.984 1.00 17.58 C ATOM 467 CB ALA A 62 70.427 15.852 15.678 1.00 15.72 C ATOM 468 C ALA A 62 72.445 15.637 17.237 1.00 17.87 C ATOM 469 O ALA A 62 72.865 14.503 17.177 1.00 17.94 O ATOM 470 N ARG A 63 72.363 16.308 18.394 1.00 17.28 N ATOM 471 CA ARG A 63 72.671 15.651 19.673 1.00 17.73 C ATOM 472 CB ARG A 63 72.879 16.711 20.772 1.00 16.88 C ATOM 473 CG ARG A 63 74.185 17.453 20.579 1.00 15.94 C ATOM 474 CD ARG A 63 74.288 18.779 21.293 1.00 16.11 C ATOM 475 NE ARG A 63 73.044 19.574 21.086 1.00 14.97 N ATOM 476 CZ ARG A 63 72.557 20.478 21.906 1.00 17.54 C ATOM 477 NH1 ARG A 63 73.173 20.817 23.045 1.00 14.20 N ATOM 478 NH2 ARG A 63 71.422 21.095 21.552 1.00 21.97 N ATOM 479 C ARG A 63 71.540 14.760 20.087 1.00 19.68 C ATOM 480 O ARG A 63 71.750 13.788 20.817 1.00 21.15 O ATOM 481 N THR A 64 70.314 15.097 19.654 1.00 16.96 N ATOM 482 CA THR A 64 69.178 14.377 20.169 1.00 18.11 C ATOM 483 CB THR A 64 68.097 15.323 20.676 1.00 17.51 C ATOM 484 OG1 THR A 64 67.507 16.005 19.583 1.00 20.65 O ATOM 485 CG2 THR A 64 68.692 16.431 21.555 1.00 22.21 C ATOM 486 C THR A 64 68.648 13.513 19.065 1.00 17.60 C ATOM 487 O THR A 64 69.208 13.527 17.960 1.00 16.09 O ATOM 488 N ARG A 65 67.549 12.810 19.335 1.00 16.59 N ATOM 489 CA ARG A 65 66.920 12.048 18.303 1.00 17.03 C ATOM 490 CB ARG A 65 65.926 11.075 18.911 1.00 17.52 C ATOM 491 CG ARG A 65 66.554 9.827 19.476 1.00 18.88 C ATOM 492 CD ARG A 65 65.587 8.612 19.387 1.00 27.10 C ATOM 493 NE ARG A 65 64.295 8.881 20.020 1.00 33.21 N ATOM 494 CZ ARG A 65 63.107 8.496 19.546 1.00 35.17 C ATOM 495 NH1 ARG A 65 62.969 7.857 18.390 1.00 35.75 N ATOM 496 NH2 ARG A 65 62.040 8.773 20.248 1.00 36.00 N ATOM 497 C ARG A 65 66.210 12.920 17.253 1.00 18.58 C ATOM 498 O ARG A 65 65.793 12.410 16.252 1.00 18.72 O ATOM 499 N GLY A 66 66.151 14.247 17.433 1.00 19.93 N ATOM 500 CA GLY A 66 65.592 15.130 16.392 1.00 19.89 C ATOM 501 C GLY A 66 64.103 14.875 16.157 1.00 19.74 C ATOM 502 O GLY A 66 63.395 14.451 17.062 1.00 21.03 O ATOM 503 N THR A 67 63.634 15.149 14.954 1.00 18.46 N ATOM 504 CA THR A 67 62.177 15.223 14.711 1.00 17.55 C ATOM 505 CB THR A 67 61.766 16.648 14.300 1.00 14.66 C ATOM 506 OG1 THR A 67 62.474 17.062 13.124 1.00 19.80 O ATOM 507 CG2 THR A 67 62.260 17.656 15.336 1.00 19.40 C ATOM 508 C THR A 67 61.752 14.294 13.635 1.00 16.39 C ATOM 509 O THR A 67 60.541 14.271 13.306 1.00 15.49 O ATOM 510 N ARG A 68 62.707 13.485 13.115 1.00 14.51 N ATOM 511 CA ARG A 68 62.427 12.701 11.906 1.00 12.93 C ATOM 512 CB ARG A 68 63.586 12.796 10.914 1.00 15.33 C ATOM 513 CG ARG A 68 63.741 14.162 10.358 1.00 14.01 C ATOM 514 CD ARG A 68 64.928 14.282 9.448 1.00 21.46 C ATOM 515 NE ARG A 68 65.131 15.667 9.069 1.00 22.97 N ATOM 516 CZ ARG A 68 66.187 16.065 8.363 1.00 23.31 C ATOM 517 NH1 ARG A 68 67.072 15.195 7.984 1.00 18.75 N ATOM 518 NH2 ARG A 68 66.360 17.320 8.044 1.00 26.26 N ATOM 519 C ARG A 68 62.205 11.254 12.318 1.00 13.12 C ATOM 520 O ARG A 68 62.959 10.747 13.129 1.00 13.51 O ATOM 521 N ARG A 69 61.158 10.603 11.800 1.00 11.96 N ATOM 522 CA ARG A 69 60.786 9.252 12.244 1.00 11.02 C ATOM 523 CB ARG A 69 59.686 9.335 13.326 1.00 11.80 C ATOM 524 CG ARG A 69 60.001 10.231 14.537 1.00 10.34 C ATOM 525 CD ARG A 69 60.931 9.488 15.488 1.00 13.46 C ATOM 526 NE ARG A 69 61.127 10.264 16.726 1.00 17.15 N ATOM 527 CZ ARG A 69 62.067 11.194 16.919 1.00 16.83 C ATOM 528 NH1 ARG A 69 62.192 11.787 18.145 1.00 14.34 N ATOM 529 NH2 ARG A 69 62.889 11.486 15.954 1.00 12.84 N ATOM 530 C ARG A 69 60.179 8.492 11.059 1.00 10.96 C ATOM 531 O ARG A 69 59.623 9.136 10.122 1.00 11.76 O ATOM 532 N ILE A 70 60.247 7.158 11.109 1.00 9.29 N ATOM 533 CA ILE A 70 59.462 6.369 10.202 1.00 11.03 C ATOM 534 CB ILE A 70 60.306 5.392 9.338 1.00 10.84 C ATOM 535 CG1 ILE A 70 60.970 6.165 8.133 1.00 11.82 C ATOM 536 CD1 ILE A 70 61.860 5.340 7.288 1.00 13.63 C ATOM 537 CG2 ILE A 70 59.417 4.303 8.831 1.00 13.19 C ATOM 538 C ILE A 70 58.456 5.650 11.108 1.00 8.75 C ATOM 539 O ILE A 70 58.805 5.156 12.157 1.00 9.21 O ATOM 540 N ILE A 71 57.216 5.637 10.690 1.00 10.23 N ATOM 541 CA ILE A 71 56.167 4.883 11.399 1.00 11.48 C ATOM 542 CB ILE A 71 54.895 5.739 11.703 1.00 12.29 C ATOM 543 CG1 ILE A 71 55.191 6.991 12.539 1.00 16.81 C ATOM 544 CD1 ILE A 71 56.008 6.816 13.780 1.00 16.58 C ATOM 545 CG2 ILE A 71 53.756 4.878 12.375 1.00 10.75 C ATOM 546 C ILE A 71 55.791 3.735 10.502 1.00 11.57 C ATOM 547 O ILE A 71 55.341 3.976 9.338 1.00 9.60 O ATOM 549 CA CYS A 72 55.469 1.311 10.303 1.00 10.64 C ATOM 550 CB CYS A 72 56.301 0.057 10.720 1.00 14.32 C ATOM 552 C CYS A 72 54.001 1.000 10.624 1.00 11.96 C ATOM 553 O CYS A 72 53.611 1.148 11.766 1.00 10.08 O ATOM 554 N GLY A 73 53.212 0.610 9.629 1.00 12.81 N ATOM 555 CA GLY A 73 51.946 -0.091 9.911 1.00 12.55 C ATOM 556 C GLY A 73 52.095 -1.569 9.644 1.00 12.66 C ATOM 557 O GLY A 73 53.022 -2.001 8.955 1.00 13.82 O ATOM 558 N GLU A 74 51.138 -2.382 10.094 1.00 14.14 N ATOM 559 CA GLU A 74 51.253 -3.845 9.828 1.00 15.79 C ATOM 560 CB GLU A 74 50.199 -4.634 10.639 1.00 14.70 C ATOM 561 CG GLU A 74 50.478 -4.698 12.122 1.00 21.80 C ATOM 562 CD GLU A 74 49.252 -5.245 12.891 1.00 22.84 C ATOM 563 OE1 GLU A 74 49.292 -5.134 14.123 1.00 29.42 O ATOM 564 OE2 GLU A 74 48.212 -5.700 12.264 1.00 26.14 O ATOM 565 C GLU A 74 51.166 -4.263 8.350 1.00 13.04 C ATOM 566 O GLU A 74 51.686 -5.324 8.020 1.00 13.56 O ATOM 567 N ALA A 75 50.463 -3.494 7.490 1.00 11.09 N ATOM 568 CA ALA A 75 50.259 -3.855 6.098 1.00 11.59 C ATOM 569 CB ALA A 75 49.258 -2.957 5.387 1.00 9.93 C ATOM 570 C ALA A 75 51.548 -3.874 5.303 1.00 12.08 C ATOM 571 O ALA A 75 52.533 -3.185 5.660 1.00 11.68 O ATOM 572 N THR A 76 51.544 -4.654 4.236 1.00 10.70 N ATOM 573 CA THR A 76 52.684 -4.720 3.357 1.00 13.49 C ATOM 574 CB THR A 76 52.386 -5.688 2.192 1.00 13.70 C ATOM 575 OG1 THR A 76 52.285 -6.999 2.739 1.00 19.81 O ATOM 576 CG2 THR A 76 53.610 -5.898 1.389 1.00 15.09 C ATOM 577 C THR A 76 53.012 -3.342 2.782 1.00 12.42 C ATOM 578 O THR A 76 52.112 -2.659 2.289 1.00 12.89 O ATOM 579 N GLN A 77 54.275 -2.912 2.919 1.00 14.42 N ATOM 580 CA GLN A 77 54.774 -1.607 2.366 1.00 14.87 C ATOM 581 CB GLN A 77 54.510 -1.470 0.880 1.00 17.30 C ATOM 582 CG GLN A 77 54.942 -2.627 -0.008 1.00 22.16 C ATOM 583 CD GLN A 77 56.406 -2.614 -0.230 1.00 29.26 C ATOM 584 OE1 GLN A 77 57.071 -3.660 -0.161 1.00 34.49 O ATOM 585 NE2 GLN A 77 56.948 -1.409 -0.485 1.00 26.11 N ATOM 586 C GLN A 77 54.158 -0.372 3.058 1.00 14.57 C ATOM 587 O GLN A 77 54.314 0.773 2.592 1.00 12.22 O ATOM 588 N GLU A 78 53.486 -0.567 4.177 1.00 8.61 N ATOM 589 CA GLU A 78 52.870 0.618 4.833 1.00 8.30 C ATOM 590 CB GLU A 78 51.556 0.183 5.580 1.00 8.02 C ATOM 591 CG GLU A 78 50.768 1.409 6.113 1.00 9.52 C ATOM 592 CD GLU A 78 49.585 0.969 7.024 1.00 8.29 C ATOM 593 OE1 GLU A 78 48.867 1.899 7.448 1.00 12.11 O ATOM 594 OE2 GLU A 78 49.480 -0.269 7.295 1.00 12.57 O ATOM 595 C GLU A 78 53.836 1.305 5.770 1.00 9.77 C ATOM 596 O GLU A 78 54.084 0.796 6.889 1.00 10.56 O ATOM 597 N ASP A 79 54.466 2.425 5.319 1.00 9.40 N ATOM 598 CA ASP A 79 55.490 3.037 6.186 1.00 9.21 C ATOM 599 CB ASP A 79 56.902 2.658 5.650 1.00 10.24 C ATOM 600 CG ASP A 79 57.164 1.179 5.742 1.00 14.16 C ATOM 601 OD1 ASP A 79 56.914 0.481 4.735 1.00 14.24 O ATOM 602 OD2 ASP A 79 57.455 0.644 6.818 1.00 10.04 O ATOM 603 C ASP A 79 55.301 4.503 5.973 1.00 10.13 C ATOM 604 O ASP A 79 55.187 4.901 4.811 1.00 9.83 O ATOM 605 N TYR A 80 55.316 5.340 7.038 1.00 9.42 N ATOM 606 CA TYR A 80 55.036 6.746 6.898 1.00 10.00 C ATOM 607 CB TYR A 80 53.822 7.136 7.832 1.00 9.03 C ATOM 608 CG TYR A 80 52.574 6.405 7.466 1.00 10.48 C ATOM 609 CD1 TYR A 80 52.229 5.187 8.167 1.00 11.45 C ATOM 610 CE1 TYR A 80 51.096 4.469 7.792 1.00 10.01 C ATOM 611 CZ TYR A 80 50.245 5.046 6.768 1.00 11.53 C ATOM 612 OH TYR A 80 49.089 4.388 6.392 1.00 15.46 O ATOM 613 CE2 TYR A 80 50.548 6.244 6.076 1.00 10.01 C ATOM 614 CD2 TYR A 80 51.717 6.916 6.438 1.00 11.82 C ATOM 615 C TYR A 80 56.280 7.498 7.413 1.00 12.31 C ATOM 616 O TYR A 80 56.860 7.110 8.442 1.00 12.63 O ATOM 617 N TYR A 81 56.585 8.602 6.744 1.00 11.29 N ATOM 618 CA TYR A 81 57.677 9.408 7.162 1.00 11.54 C ATOM 619 CB TYR A 81 58.469 9.804 5.887 1.00 11.53 C ATOM 620 CG TYR A 81 59.588 10.788 6.210 1.00 13.53 C ATOM 621 CD1 TYR A 81 59.425 12.144 5.969 1.00 12.31 C ATOM 622 CE1 TYR A 81 60.491 13.058 6.320 1.00 14.37 C ATOM 623 CZ TYR A 81 61.680 12.548 6.874 1.00 16.99 C ATOM 624 OH TYR A 81 62.759 13.432 7.215 1.00 15.88 O ATOM 625 CE2 TYR A 81 61.848 11.204 7.054 1.00 14.58 C ATOM 626 CD2 TYR A 81 60.802 10.321 6.749 1.00 14.14 C ATOM 627 C TYR A 81 57.024 10.627 7.808 1.00 10.36 C ATOM 628 O TYR A 81 56.116 11.240 7.234 1.00 10.93 O ATOM 629 N THR A 82 57.613 11.098 8.903 1.00 10.88 N ATOM 630 CA THR A 82 57.316 12.434 9.441 1.00 12.42 C ATOM 631 CB THR A 82 56.428 12.329 10.741 1.00 10.52 C ATOM 632 OG1 THR A 82 56.258 13.673 11.287 1.00 14.07 O ATOM 633 CG2 THR A 82 57.153 11.644 11.901 1.00 13.43 C ATOM 634 C THR A 82 58.648 13.170 9.687 1.00 14.38 C ATOM 635 O THR A 82 59.543 12.570 10.311 1.00 15.20 O ATOM 636 N GLY A 83 58.796 14.417 9.203 1.00 14.03 N ATOM 637 CA GLY A 83 59.983 15.232 9.501 1.00 13.32 C ATOM 638 C GLY A 83 59.743 16.277 10.586 1.00 14.80 C ATOM 639 O GLY A 83 60.658 17.010 10.935 1.00 14.81 O ATOM 640 N ASP A 84 58.551 16.280 11.181 1.00 14.78 N ATOM 641 CA ASP A 84 58.118 17.318 12.141 1.00 14.14 C ATOM 642 CB ASP A 84 57.098 18.317 11.499 1.00 16.55 C ATOM 643 CG ASP A 84 55.822 17.648 11.035 1.00 16.80 C ATOM 644 OD1 ASP A 84 55.110 18.230 10.211 1.00 21.07 O ATOM 645 OD2 ASP A 84 55.446 16.535 11.419 1.00 16.37 O ATOM 646 C ASP A 84 57.593 16.753 13.439 1.00 15.66 C ATOM 647 O ASP A 84 56.751 17.340 14.091 1.00 15.13 O ATOM 648 N HIS A 85 58.107 15.607 13.846 1.00 16.67 N ATOM 649 CA HIS A 85 57.726 15.021 15.130 1.00 19.16 C ATOM 650 CB HIS A 85 58.185 15.915 16.297 1.00 20.62 C ATOM 651 CG HIS A 85 58.248 15.193 17.603 1.00 23.66 C ATOM 652 ND1 HIS A 85 57.234 15.253 18.540 1.00 28.44 N ATOM 653 CE1 HIS A 85 57.578 14.533 19.594 1.00 27.36 C ATOM 654 NE2 HIS A 85 58.762 13.996 19.365 1.00 23.73 N ATOM 655 CD2 HIS A 85 59.183 14.370 18.114 1.00 23.62 C ATOM 656 C HIS A 85 56.226 14.743 15.262 1.00 19.77 C ATOM 657 O HIS A 85 55.598 15.177 16.241 1.00 18.65 O ATOM 658 N TYR A 86 55.690 13.969 14.307 1.00 18.34 N ATOM 659 CA TYR A 86 54.311 13.429 14.327 1.00 18.82 C ATOM 660 CB TYR A 86 54.000 12.837 15.709 1.00 19.42 C ATOM 661 CG TYR A 86 55.082 11.946 16.226 1.00 16.86 C ATOM 662 CD1 TYR A 86 55.500 10.847 15.491 1.00 17.40 C ATOM 663 CE1 TYR A 86 56.529 10.015 15.972 1.00 15.27 C ATOM 664 CZ TYR A 86 57.110 10.314 17.178 1.00 17.65 C ATOM 665 OH TYR A 86 58.106 9.511 17.655 1.00 21.73 O ATOM 666 CE2 TYR A 86 56.719 11.417 17.905 1.00 19.29 C ATOM 667 CD2 TYR A 86 55.702 12.199 17.462 1.00 18.24 C ATOM 668 C TYR A 86 53.224 14.410 13.996 1.00 18.68 C ATOM 669 O TYR A 86 52.046 14.112 14.199 1.00 20.14 O ATOM 670 N ALA A 87 53.575 15.598 13.544 1.00 17.33 N ATOM 671 CA ALA A 87 52.536 16.517 13.146 1.00 17.64 C ATOM 672 CB ALA A 87 53.033 17.944 13.101 1.00 18.34 C ATOM 673 C ALA A 87 51.928 16.145 11.786 1.00 17.65 C ATOM 674 O ALA A 87 50.743 16.229 11.654 1.00 17.31 O ATOM 675 N THR A 88 52.757 15.848 10.781 1.00 16.81 N ATOM 676 CA THR A 88 52.260 15.521 9.451 1.00 17.30 C ATOM 677 CB THR A 88 52.544 16.649 8.416 1.00 18.51 C ATOM 678 OG1 THR A 88 53.963 16.870 8.221 1.00 20.47 O ATOM 679 CG2 THR A 88 52.042 17.970 8.921 1.00 18.84 C ATOM 680 C THR A 88 53.012 14.260 9.074 1.00 17.53 C ATOM 681 O THR A 88 54.144 14.025 9.616 1.00 14.62 O ATOM 682 N PHE A 89 52.477 13.485 8.124 1.00 16.15 N ATOM 683 CA PHE A 89 53.210 12.269 7.746 1.00 20.19 C ATOM 684 CB PHE A 89 52.458 11.099 8.263 1.00 23.45 C ATOM 685 CG PHE A 89 51.305 10.861 7.475 1.00 31.00 C ATOM 686 CD1 PHE A 89 51.473 10.418 6.145 1.00 36.17 C ATOM 687 CE1 PHE A 89 50.424 10.278 5.318 1.00 35.88 C ATOM 688 CZ PHE A 89 49.160 10.619 5.824 1.00 34.36 C ATOM 689 CE2 PHE A 89 48.997 11.106 7.170 1.00 38.68 C ATOM 690 CD2 PHE A 89 50.068 11.262 7.940 1.00 36.47 C ATOM 691 C PHE A 89 53.164 12.246 6.240 1.00 20.86 C ATOM 692 O PHE A 89 52.617 13.209 5.657 1.00 30.28 O ATOM 693 N SER A 90 53.799 11.297 5.559 1.00 16.70 N ATOM 694 CA SER A 90 53.586 11.066 4.120 1.00 13.09 C ATOM 695 CB SER A 90 54.630 11.760 3.250 1.00 14.58 C ATOM 696 OG SER A 90 54.444 13.161 3.289 1.00 17.17 O ATOM 697 C SER A 90 53.772 9.576 3.978 1.00 10.94 C ATOM 698 O SER A 90 54.592 9.015 4.691 1.00 10.33 O ATOM 699 N LEU A 91 53.057 8.921 3.080 1.00 11.14 N ATOM 700 CA LEU A 91 53.349 7.544 2.882 1.00 11.31 C ATOM 701 CB LEU A 91 52.187 6.987 2.081 1.00 13.03 C ATOM 702 CG LEU A 91 51.677 5.573 1.961 1.00 20.84 C ATOM 703 CD1 LEU A 91 51.757 5.173 0.464 1.00 25.38 C ATOM 704 CD2 LEU A 91 52.280 4.564 2.947 1.00 23.76 C ATOM 705 C LEU A 91 54.630 7.426 2.004 1.00 11.22 C ATOM 706 O LEU A 91 54.736 8.112 1.009 1.00 10.03 O ATOM 707 N ILE A 92 55.498 6.479 2.330 1.00 9.63 N ATOM 708 CA ILE A 92 56.759 6.289 1.579 1.00 11.07 C ATOM 709 CB ILE A 92 57.854 5.821 2.534 1.00 11.39 C ATOM 710 CG1 ILE A 92 58.057 6.806 3.689 1.00 10.36 C ATOM 711 CD1 ILE A 92 59.001 6.229 4.825 1.00 13.33 C ATOM 712 CG2 ILE A 92 59.253 5.487 1.747 1.00 11.58 C ATOM 713 C ILE A 92 56.572 5.268 0.488 1.00 11.02 C ATOM 714 O ILE A 92 56.033 4.114 0.713 1.00 12.03 O ATOM 715 N ASP A 93 57.032 5.590 -0.723 1.00 10.70 N ATOM 716 CA ASP A 93 56.859 4.651 -1.821 1.00 9.77 C ATOM 717 CB ASP A 93 56.223 5.398 -3.023 1.00 7.83 C ATOM 718 CG ASP A 93 56.097 4.540 -4.207 1.00 10.96 C ATOM 719 OD1 ASP A 93 55.497 4.981 -5.242 1.00 10.83 O ATOM 720 OD2 ASP A 93 56.623 3.401 -4.248 1.00 12.14 O ATOM 721 C ASP A 93 58.283 4.084 -2.167 1.00 10.98 C ATOM 722 O ASP A 93 59.091 4.976 -2.587 1.00 10.33 O ATOM 723 N ASP B 1 13.876 16.167 23.033 1.00 20.03 N ATOM 724 CA ASP B 1 13.674 17.357 22.118 1.00 22.72 C ATOM 725 CB ASP B 1 13.268 18.656 22.868 1.00 22.11 C ATOM 726 CG ASP B 1 11.932 18.509 23.559 1.00 26.11 C ATOM 727 OD1 ASP B 1 11.237 19.520 23.859 1.00 25.89 O ATOM 728 OD2 ASP B 1 11.520 17.385 23.847 1.00 24.32 O ATOM 729 C ASP B 1 15.017 17.576 21.479 1.00 22.15 C ATOM 730 O ASP B 1 16.023 17.221 22.075 1.00 25.11 O ATOM 731 N VAL B 2 15.054 18.105 20.278 1.00 21.86 N ATOM 732 CA VAL B 2 16.335 18.383 19.620 1.00 22.79 C ATOM 733 CB VAL B 2 16.163 18.333 18.111 1.00 23.26 C ATOM 734 CG1 VAL B 2 17.449 18.738 17.381 1.00 22.62 C ATOM 735 CG2 VAL B 2 15.656 16.936 17.674 1.00 24.45 C ATOM 736 C VAL B 2 16.700 19.783 20.082 1.00 23.43 C ATOM 737 O VAL B 2 15.801 20.646 20.188 1.00 23.95 O ATOM 738 N SER B 3 17.958 20.045 20.415 1.00 22.19 N ATOM 739 CA SER B 3 18.260 21.327 21.132 1.00 23.79 C ATOM 740 CB SER B 3 19.596 21.237 21.832 1.00 23.18 C ATOM 741 OG SER B 3 19.466 20.184 22.769 1.00 28.88 O ATOM 742 C SER B 3 18.258 22.544 20.217 1.00 23.88 C ATOM 743 O SER B 3 18.332 23.710 20.680 1.00 24.58 O ATOM 744 N GLY B 4 18.183 22.264 18.930 1.00 21.71 N ATOM 745 CA GLY B 4 18.118 23.300 17.899 1.00 23.02 C ATOM 746 C GLY B 4 19.030 22.860 16.770 1.00 20.65 C ATOM 747 O GLY B 4 19.416 21.680 16.719 1.00 19.89 O ATOM 748 N THR B 5 19.393 23.803 15.896 1.00 20.50 N ATOM 749 CA THR B 5 20.300 23.518 14.756 1.00 20.82 C ATOM 750 CB THR B 5 19.847 24.309 13.480 1.00 21.71 C ATOM 751 OG1 THR B 5 18.455 24.040 13.215 1.00 26.24 O ATOM 752 CG2 THR B 5 20.507 23.694 12.246 1.00 26.12 C ATOM 753 C THR B 5 21.742 23.895 15.046 1.00 20.21 C ATOM 754 O THR B 5 21.975 24.852 15.797 1.00 20.37 O ATOM 755 N VAL B 6 22.719 23.178 14.461 1.00 17.59 N ATOM 756 CA VAL B 6 24.115 23.627 14.623 1.00 17.38 C ATOM 757 CB VAL B 6 24.957 22.708 15.627 1.00 18.34 C ATOM 758 CG1 VAL B 6 25.093 21.271 15.091 1.00 15.36 C ATOM 759 CG2 VAL B 6 26.374 23.336 15.966 1.00 19.14 C ATOM 760 C VAL B 6 24.768 23.714 13.246 1.00 17.63 C ATOM 761 O VAL B 6 24.599 22.784 12.428 1.00 17.20 O ATOM 762 N CYS B 7 25.536 24.793 12.979 1.00 15.91 N ATOM 763 CA CYS B 7 26.288 24.827 11.782 1.00 13.92 C ATOM 764 CB CYS B 7 26.891 26.233 11.571 1.00 15.74 C ATOM 765 SG CYS B 7 25.616 27.455 11.231 1.00 17.41 S ATOM 766 C CYS B 7 27.365 23.784 11.745 1.00 13.17 C ATOM 767 O CYS B 7 28.176 23.628 12.713 1.00 14.19 O ATOM 768 N LEU B 8 27.495 23.122 10.598 1.00 13.54 N ATOM 769 CA LEU B 8 28.550 22.106 10.460 1.00 13.67 C ATOM 770 CB LEU B 8 28.569 21.507 9.038 1.00 13.36 C ATOM 771 CG LEU B 8 29.663 20.423 8.728 1.00 14.24 C ATOM 772 CD1 LEU B 8 29.585 19.282 9.840 1.00 13.42 C ATOM 773 CD2 LEU B 8 29.274 19.853 7.359 1.00 15.80 C ATOM 774 C LEU B 8 29.896 22.751 10.689 1.00 15.33 C ATOM 775 O LEU B 8 30.815 22.095 11.185 1.00 15.24 O ATOM 776 N SER B 9 30.040 24.013 10.313 1.00 15.69 N ATOM 777 CA SER B 9 31.330 24.756 10.475 1.00 17.08 C ATOM 778 CB SER B 9 31.354 26.084 9.703 1.00 17.17 C ATOM 779 OG SER B 9 30.420 26.981 10.292 1.00 17.54 O ATOM 780 C SER B 9 31.679 25.026 11.896 1.00 19.19 C ATOM 781 O SER B 9 32.856 25.303 12.172 1.00 21.25 O ATOM 782 N ALA B 10 30.706 24.893 12.797 1.00 17.83 N ATOM 783 CA ALA B 10 30.872 25.097 14.186 1.00 16.97 C ATOM 784 CB ALA B 10 29.620 25.671 14.815 1.00 16.32 C ATOM 785 C ALA B 10 31.274 23.796 14.904 1.00 16.69 C ATOM 786 O ALA B 10 31.624 23.839 16.093 1.00 15.70 O ATOM 787 N LEU B 11 31.225 22.675 14.194 1.00 12.72 N ATOM 788 CA LEU B 11 31.464 21.413 14.824 1.00 14.07 C ATOM 789 CB LEU B 11 30.653 20.278 14.078 1.00 14.09 C ATOM 790 CG LEU B 11 29.119 20.386 14.432 1.00 14.38 C ATOM 791 CD1 LEU B 11 28.300 19.346 13.697 1.00 14.39 C ATOM 792 CD2 LEU B 11 28.820 20.322 15.900 1.00 19.14 C ATOM 793 C LEU B 11 32.943 21.083 14.727 1.00 14.76 C ATOM 794 O LEU B 11 33.656 21.609 13.867 1.00 14.31 O ATOM 795 N PRO B 12 33.422 20.148 15.540 1.00 15.53 N ATOM 796 CA PRO B 12 34.843 19.670 15.321 1.00 14.53 C ATOM 797 CB PRO B 12 34.999 18.531 16.324 1.00 16.43 C ATOM 798 CG PRO B 12 34.042 18.890 17.384 1.00 17.54 C ATOM 799 CD PRO B 12 32.750 19.499 16.685 1.00 14.67 C ATOM 800 C PRO B 12 35.024 19.171 13.869 1.00 14.34 C ATOM 801 O PRO B 12 34.046 18.656 13.265 1.00 11.85 O ATOM 802 N PRO B 13 36.203 19.363 13.250 1.00 13.21 N ATOM 803 CA PRO B 13 36.374 19.025 11.829 1.00 12.99 C ATOM 804 CB PRO B 13 37.842 19.407 11.518 1.00 15.24 C ATOM 805 CG PRO B 13 38.524 19.425 12.864 1.00 15.37 C ATOM 806 CD PRO B 13 37.445 19.913 13.842 1.00 14.77 C ATOM 807 C PRO B 13 36.085 17.526 11.545 1.00 14.01 C ATOM 808 O PRO B 13 35.740 17.177 10.420 1.00 13.72 O ATOM 809 N GLU B 14 36.202 16.663 12.569 1.00 11.55 N ATOM 810 CA GLU B 14 35.954 15.217 12.401 1.00 12.83 C ATOM 811 CB GLU B 14 36.352 14.441 13.654 1.00 14.59 C ATOM 812 CG GLU B 14 37.856 14.422 13.950 1.00 12.47 C ATOM 813 CD GLU B 14 38.362 15.700 14.638 1.00 20.44 C ATOM 814 OE1 GLU B 14 37.590 16.494 15.254 1.00 12.81 O ATOM 815 OE2 GLU B 14 39.575 15.965 14.504 1.00 17.95 O ATOM 816 C GLU B 14 34.500 14.893 12.036 1.00 12.64 C ATOM 817 O GLU B 14 34.257 13.830 11.451 1.00 12.92 O ATOM 818 N ALA B 15 33.574 15.781 12.434 1.00 11.80 N ATOM 819 CA ALA B 15 32.142 15.685 12.086 1.00 13.28 C ATOM 820 CB ALA B 15 31.342 16.811 12.793 1.00 10.60 C ATOM 821 C ALA B 15 31.955 15.735 10.596 1.00 12.55 C ATOM 822 O ALA B 15 31.126 15.021 10.037 1.00 12.91 O ATOM 823 N THR B 16 32.761 16.590 9.924 1.00 13.33 N ATOM 824 CA THR B 16 32.744 16.590 8.453 1.00 13.83 C ATOM 825 CB THR B 16 33.621 17.797 8.021 1.00 16.40 C ATOM 826 OG1 THR B 16 32.926 18.991 8.426 1.00 14.97 O ATOM 827 CG2 THR B 16 33.748 17.879 6.510 1.00 21.57 C ATOM 828 C THR B 16 33.281 15.288 7.850 1.00 12.33 C ATOM 829 O THR B 16 32.682 14.728 6.935 1.00 14.31 O ATOM 830 N ASP B 17 34.342 14.745 8.414 1.00 11.86 N ATOM 831 CA ASP B 17 34.923 13.462 7.905 1.00 13.70 C ATOM 832 CB ASP B 17 36.061 12.979 8.757 1.00 13.13 C ATOM 833 CG ASP B 17 37.216 13.893 8.746 1.00 20.00 C ATOM 834 OD1 ASP B 17 38.007 13.840 9.693 1.00 20.38 O ATOM 835 OD2 ASP B 17 37.437 14.642 7.784 1.00 21.53 O ATOM 836 C ASP B 17 33.860 12.389 8.069 1.00 13.22 C ATOM 837 O ASP B 17 33.718 11.504 7.193 1.00 15.29 O ATOM 838 N THR B 18 33.145 12.406 9.200 1.00 12.83 N ATOM 839 CA THR B 18 32.136 11.332 9.394 1.00 12.84 C ATOM 840 CB THR B 18 31.589 11.407 10.790 1.00 15.93 C ATOM 841 OG1 THR B 18 32.654 11.134 11.758 1.00 11.90 O ATOM 842 CG2 THR B 18 30.477 10.308 11.041 1.00 13.12 C ATOM 843 C THR B 18 30.978 11.525 8.395 1.00 14.48 C ATOM 844 O THR B 18 30.475 10.547 7.837 1.00 13.10 O ATOM 845 N LEU B 19 30.536 12.776 8.217 1.00 13.72 N ATOM 846 CA LEU B 19 29.443 13.007 7.260 1.00 16.97 C ATOM 847 CB LEU B 19 29.065 14.495 7.260 1.00 18.16 C ATOM 848 CG LEU B 19 28.093 14.909 8.344 1.00 18.56 C ATOM 849 CD1 LEU B 19 27.875 16.381 8.149 1.00 23.01 C ATOM 850 CD2 LEU B 19 26.782 14.101 8.258 1.00 22.94 C ATOM 851 C LEU B 19 29.850 12.540 5.817 1.00 17.72 C ATOM 852 O LEU B 19 29.016 12.011 5.066 1.00 17.80 O ATOM 853 N ASN B 20 31.125 12.687 5.474 1.00 16.77 N ATOM 854 CA ASN B 20 31.625 12.228 4.206 1.00 18.66 C ATOM 855 CB ASN B 20 33.002 12.838 3.915 1.00 19.91 C ATOM 856 CG ASN B 20 32.896 14.318 3.634 1.00 22.37 C ATOM 857 OD1 ASN B 20 31.804 14.805 3.329 1.00 30.93 O ATOM 858 ND2 ASN B 20 34.014 15.045 3.743 1.00 27.53 N ATOM 859 C ASN B 20 31.661 10.732 4.107 1.00 18.08 C ATOM 860 O ASN B 20 31.387 10.182 3.028 1.00 18.15 O ATOM 861 N LEU B 21 31.973 10.044 5.217 1.00 17.18 N ATOM 862 CA LEU B 21 31.880 8.577 5.163 1.00 17.24 C ATOM 863 CB LEU B 21 32.546 7.969 6.406 1.00 16.43 C ATOM 864 CG LEU B 21 34.050 8.179 6.340 1.00 17.56 C ATOM 865 CD1 LEU B 21 34.718 7.665 7.646 1.00 22.58 C ATOM 866 CD2 LEU B 21 34.558 7.395 5.108 1.00 20.10 C ATOM 867 C LEU B 21 30.461 8.077 5.004 1.00 17.70 C ATOM 868 O LEU B 21 30.175 7.027 4.329 1.00 18.02 O ATOM 869 N ILE B 22 29.535 8.797 5.636 1.00 18.19 N ATOM 870 CA ILE B 22 28.146 8.364 5.568 1.00 17.59 C ATOM 871 CB ILE B 22 27.263 9.171 6.549 1.00 19.12 C ATOM 872 CG1 ILE B 22 27.694 8.886 8.007 1.00 16.72 C ATOM 873 CD1 ILE B 22 27.076 9.844 9.053 1.00 15.09 C ATOM 874 CG2 ILE B 22 25.770 8.844 6.317 1.00 19.05 C ATOM 875 C ILE B 22 27.683 8.523 4.105 1.00 19.86 C ATOM 876 O ILE B 22 26.936 7.686 3.575 1.00 19.81 O ATOM 877 N ALA B 23 28.157 9.574 3.461 1.00 21.15 N ATOM 878 CA ALA B 23 27.681 9.916 2.102 1.00 23.48 C ATOM 879 CB ALA B 23 28.238 11.280 1.614 1.00 22.46 C ATOM 880 C ALA B 23 28.145 8.764 1.233 1.00 25.12 C ATOM 881 O ALA B 23 27.357 8.271 0.424 1.00 25.86 O ATOM 882 N SER B 24 29.359 8.251 1.466 1.00 24.33 N ATOM 883 CA SER B 24 29.886 7.170 0.617 1.00 25.44 C ATOM 884 CB SER B 24 31.411 7.308 0.465 1.00 24.90 C ATOM 885 OG SER B 24 32.101 7.040 1.707 1.00 29.45 O ATOM 886 C SER B 24 29.514 5.768 1.067 1.00 25.11 C ATOM 887 O SER B 24 29.854 4.794 0.402 1.00 27.53 O ATOM 888 N ASP B 25 28.801 5.673 2.185 1.00 23.80 N ATOM 889 CA ASP B 25 28.621 4.457 2.970 1.00 24.14 C ATOM 890 CB ASP B 25 27.709 3.490 2.230 1.00 24.57 C ATOM 891 CG ASP B 25 27.160 2.481 3.127 1.00 30.47 C ATOM 892 OD1 ASP B 25 26.866 1.359 2.628 1.00 33.97 O ATOM 893 OD2 ASP B 25 27.033 2.708 4.370 1.00 35.68 O ATOM 894 C ASP B 25 29.947 3.746 3.281 1.00 24.10 C ATOM 895 O ASP B 25 30.077 2.518 3.108 1.00 23.59 O ATOM 896 N GLY B 26 30.950 4.484 3.732 1.00 23.62 N ATOM 897 CA GLY B 26 32.136 3.796 4.296 1.00 20.72 C ATOM 898 C GLY B 26 33.196 3.696 3.214 1.00 21.68 C ATOM 899 O GLY B 26 33.056 4.350 2.194 1.00 22.14 O ATOM 900 N PRO B 27 34.215 2.849 3.375 1.00 20.98 N ATOM 901 CA PRO B 27 34.438 1.989 4.533 1.00 20.51 C ATOM 902 CB PRO B 27 35.745 1.327 4.183 1.00 20.53 C ATOM 903 CG PRO B 27 35.719 1.294 2.801 1.00 21.00 C ATOM 904 CD PRO B 27 35.241 2.619 2.346 1.00 20.33 C ATOM 905 C PRO B 27 34.604 2.774 5.831 1.00 19.47 C ATOM 906 O PRO B 27 34.981 3.946 5.781 1.00 18.74 O ATOM 907 N PHE B 28 34.144 2.200 6.940 1.00 17.43 N ATOM 908 CA PHE B 28 34.089 3.005 8.192 1.00 17.15 C ATOM 909 CB PHE B 28 32.762 2.883 8.974 1.00 16.98 C ATOM 910 CG PHE B 28 31.598 3.474 8.244 1.00 18.69 C ATOM 911 CD1 PHE B 28 30.780 2.654 7.478 1.00 18.40 C ATOM 912 CE1 PHE B 28 29.700 3.163 6.781 1.00 18.59 C ATOM 913 CZ PHE B 28 29.441 4.546 6.804 1.00 19.17 C ATOM 914 CE2 PHE B 28 30.286 5.413 7.551 1.00 20.24 C ATOM 915 CD2 PHE B 28 31.352 4.842 8.304 1.00 19.01 C ATOM 916 C PHE B 28 35.193 2.496 9.069 1.00 13.48 C ATOM 917 O PHE B 28 35.564 1.288 8.957 1.00 13.02 O ATOM 918 N PRO B 29 35.677 3.355 9.974 1.00 12.96 N ATOM 919 CA PRO B 29 36.814 2.962 10.820 1.00 12.11 C ATOM 920 CB PRO B 29 37.207 4.274 11.561 1.00 12.84 C ATOM 921 CG PRO B 29 36.056 5.212 11.448 1.00 12.70 C ATOM 922 CD PRO B 29 35.206 4.706 10.294 1.00 11.92 C ATOM 923 C PRO B 29 36.465 1.915 11.848 1.00 13.13 C ATOM 924 O PRO B 29 37.334 1.099 12.218 1.00 13.31 O ATOM 925 N TYR B 30 35.270 1.974 12.408 1.00 12.84 N ATOM 926 CA TYR B 30 34.958 1.129 13.577 1.00 13.67 C ATOM 927 CB TYR B 30 34.419 2.000 14.675 1.00 15.09 C ATOM 928 CG TYR B 30 35.517 2.741 15.399 1.00 16.40 C ATOM 929 CD1 TYR B 30 36.326 2.067 16.302 1.00 19.59 C ATOM 930 CE1 TYR B 30 37.360 2.736 17.004 1.00 20.56 C ATOM 931 CZ TYR B 30 37.560 4.096 16.775 1.00 20.33 C ATOM 932 OH TYR B 30 38.534 4.732 17.454 1.00 21.50 O ATOM 933 CE2 TYR B 30 36.759 4.802 15.915 1.00 14.98 C ATOM 934 CD2 TYR B 30 35.702 4.108 15.217 1.00 12.24 C ATOM 935 C TYR B 30 33.894 0.135 13.185 1.00 13.10 C ATOM 936 O TYR B 30 33.000 0.460 12.410 1.00 14.02 O ATOM 937 N SER B 31 33.914 -1.043 13.779 1.00 11.17 N ATOM 938 CA SER B 31 32.952 -2.072 13.373 1.00 13.13 C ATOM 939 CB SER B 31 33.383 -3.460 13.898 1.00 13.42 C ATOM 940 OG SER B 31 33.467 -3.460 15.327 1.00 19.25 O ATOM 941 C SER B 31 31.554 -1.693 13.876 1.00 14.08 C ATOM 942 O SER B 31 30.561 -2.177 13.322 1.00 13.82 O ATOM 943 N GLN B 32 31.487 -0.788 14.837 1.00 12.49 N ATOM 944 CA GLN B 32 30.221 -0.368 15.390 1.00 13.08 C ATOM 945 CB GLN B 32 30.384 0.012 16.893 1.00 14.87 C ATOM 946 CG GLN B 32 30.447 -1.221 17.756 1.00 16.28 C ATOM 947 CD GLN B 32 29.067 -1.925 17.840 1.00 24.95 C ATOM 948 OE1 GLN B 32 28.851 -2.969 17.203 1.00 29.01 O ATOM 949 NE2 GLN B 32 28.166 -1.372 18.623 1.00 26.93 N ATOM 950 C GLN B 32 29.676 0.785 14.631 1.00 13.18 C ATOM 951 O GLN B 32 28.575 1.241 14.972 1.00 17.82 O ATOM 952 N ASP B 33 30.357 1.250 13.584 1.00 11.14 N ATOM 953 CA ASP B 33 29.733 2.303 12.756 1.00 11.80 C ATOM 954 CB ASP B 33 30.766 2.939 11.836 1.00 9.67 C ATOM 955 CG ASP B 33 31.679 3.907 12.620 1.00 10.43 C ATOM 956 OD1 ASP B 33 32.812 4.134 12.179 1.00 11.95 O ATOM 957 OD2 ASP B 33 31.282 4.463 13.705 1.00 13.52 O ATOM 958 C ASP B 33 28.562 1.772 11.925 1.00 12.52 C ATOM 959 O ASP B 33 28.716 0.756 11.297 1.00 12.69 O ATOM 960 N GLY B 34 27.455 2.503 11.936 1.00 13.17 N ATOM 961 CA GLY B 34 26.305 2.195 11.144 1.00 14.36 C ATOM 962 C GLY B 34 25.315 1.279 11.823 1.00 15.31 C ATOM 963 O GLY B 34 24.331 0.830 11.171 1.00 18.51 O ATOM 964 N VAL B 35 25.488 1.054 13.119 1.00 14.68 N ATOM 965 CA VAL B 35 24.536 0.208 13.885 1.00 14.85 C ATOM 966 CB VAL B 35 25.088 -0.341 15.244 1.00 16.54 C ATOM 967 CG1 VAL B 35 26.278 -1.259 14.982 1.00 17.04 C ATOM 968 CG2 VAL B 35 25.504 0.771 16.175 1.00 15.09 C ATOM 969 C VAL B 35 23.253 0.982 14.090 1.00 16.78 C ATOM 970 O VAL B 35 23.253 2.198 13.939 1.00 14.75 O ATOM 971 N VAL B 36 22.141 0.270 14.353 1.00 16.70 N ATOM 972 CA VAL B 36 20.869 0.962 14.582 1.00 18.01 C ATOM 973 CB VAL B 36 19.685 -0.038 14.606 1.00 18.63 C ATOM 974 CG1 VAL B 36 18.309 0.752 14.967 1.00 20.12 C ATOM 975 CG2 VAL B 36 19.663 -0.753 13.245 1.00 21.57 C ATOM 976 C VAL B 36 20.961 1.690 15.894 1.00 17.68 C ATOM 977 O VAL B 36 21.517 1.168 16.853 1.00 16.23 O ATOM 978 N PHE B 37 20.384 2.891 15.947 1.00 17.22 N ATOM 979 CA PHE B 37 20.307 3.656 17.179 1.00 19.35 C ATOM 980 CB PHE B 37 20.555 5.151 16.902 1.00 18.64 C ATOM 981 CG PHE B 37 20.330 6.039 18.110 1.00 18.60 C ATOM 982 CD1 PHE B 37 19.313 6.998 18.101 1.00 17.95 C ATOM 983 CE1 PHE B 37 19.061 7.826 19.213 1.00 15.14 C ATOM 984 CZ PHE B 37 19.892 7.680 20.367 1.00 19.38 C ATOM 985 CE2 PHE B 37 20.917 6.722 20.369 1.00 18.41 C ATOM 986 CD2 PHE B 37 21.138 5.926 19.239 1.00 17.37 C ATOM 987 C PHE B 37 18.873 3.454 17.692 1.00 20.92 C ATOM 988 O PHE B 37 17.927 3.738 16.927 1.00 19.76 O ATOM 989 N GLN B 38 18.708 3.022 18.945 1.00 20.78 N ATOM 990 CA GLN B 38 17.378 2.646 19.437 1.00 24.30 C ATOM 991 CB GLN B 38 17.468 1.591 20.558 1.00 24.15 C ATOM 992 CG GLN B 38 17.822 0.171 19.978 1.00 29.72 C ATOM 993 CD GLN B 38 18.306 -0.832 21.015 1.00 29.98 C ATOM 994 OE1 GLN B 38 17.976 -0.722 22.197 1.00 36.88 O ATOM 995 NE2 GLN B 38 19.096 -1.829 20.567 1.00 36.14 N ATOM 996 C GLN B 38 16.510 3.818 19.909 1.00 23.68 C ATOM 997 O GLN B 38 15.268 3.689 20.009 1.00 22.23 O ATOM 998 N ASN B 39 17.168 4.935 20.239 1.00 23.81 N ATOM 999 CA ASN B 39 16.491 6.132 20.646 1.00 24.62 C ATOM 1000 CB ASN B 39 15.568 6.636 19.542 1.00 23.83 C ATOM 1001 CG ASN B 39 15.021 8.022 19.846 1.00 25.25 C ATOM 1002 OD1 ASN B 39 15.684 8.831 20.509 1.00 21.89 O ATOM 1003 ND2 ASN B 39 13.842 8.311 19.353 1.00 19.37 N ATOM 1004 C ASN B 39 15.675 5.808 21.891 1.00 27.34 C ATOM 1005 O ASN B 39 14.557 6.346 22.093 1.00 26.09 O ATOM 1006 N ARG B 40 16.268 4.915 22.694 1.00 27.71 N ATOM 1007 CA ARG B 40 15.692 4.378 23.935 1.00 32.98 C ATOM 1008 CB ARG B 40 16.795 3.759 24.805 1.00 31.62 C ATOM 1009 CG ARG B 40 16.956 2.241 24.743 1.00 37.84 C ATOM 1010 CD ARG B 40 18.005 1.762 25.798 1.00 37.98 C ATOM 1011 NE ARG B 40 18.072 2.756 26.886 1.00 49.00 N ATOM 1012 CZ ARG B 40 17.486 2.615 28.084 1.00 52.82 C ATOM 1013 NH1 ARG B 40 16.816 1.506 28.374 1.00 56.01 N ATOM 1014 NH2 ARG B 40 17.573 3.578 28.999 1.00 55.77 N ATOM 1015 C ARG B 40 15.006 5.412 24.778 1.00 33.29 C ATOM 1016 O ARG B 40 13.898 5.168 25.234 1.00 34.72 O ATOM 1017 N GLU B 41 15.670 6.557 24.994 1.00 34.26 N ATOM 1018 CA GLU B 41 15.146 7.589 25.917 1.00 35.24 C ATOM 1019 CB GLU B 41 16.228 8.196 26.840 1.00 35.70 C ATOM 1020 CG GLU B 41 17.636 8.324 26.267 1.00 41.47 C ATOM 1021 CD GLU B 41 18.284 6.966 25.965 1.00 47.43 C ATOM 1022 OE1 GLU B 41 18.558 6.690 24.756 1.00 52.12 O ATOM 1023 OE2 GLU B 41 18.508 6.176 26.919 1.00 46.18 O ATOM 1024 C GLU B 41 14.331 8.673 25.228 1.00 34.05 C ATOM 1025 O GLU B 41 14.082 9.730 25.817 1.00 35.15 O ATOM 1026 N SER B 42 13.907 8.387 23.992 1.00 32.53 N ATOM 1027 CA SER B 42 13.017 9.248 23.213 1.00 30.80 C ATOM 1028 CB SER B 42 11.614 9.137 23.764 1.00 30.97 C ATOM 1029 OG SER B 42 11.051 7.938 23.281 1.00 37.83 O ATOM 1030 C SER B 42 13.419 10.732 23.137 1.00 28.61 C ATOM 1031 O SER B 42 12.573 11.624 23.237 1.00 28.51 O ATOM 1032 N VAL B 43 14.703 11.012 22.991 1.00 25.08 N ATOM 1033 CA VAL B 43 15.154 12.400 22.872 1.00 23.02 C ATOM 1034 CB VAL B 43 16.664 12.513 23.228 1.00 23.64 C ATOM 1035 CG1 VAL B 43 17.170 13.950 23.080 1.00 21.54 C ATOM 1036 CG2 VAL B 43 16.892 11.944 24.638 1.00 23.85 C ATOM 1037 C VAL B 43 14.892 12.878 21.448 1.00 21.09 C ATOM 1038 O VAL B 43 14.516 14.058 21.205 1.00 18.66 O ATOM 1039 N LEU B 44 15.091 11.942 20.515 1.00 19.91 N ATOM 1040 CA LEU B 44 14.706 12.144 19.134 1.00 19.72 C ATOM 1041 CB LEU B 44 15.705 11.415 18.199 1.00 18.43 C ATOM 1042 CG LEU B 44 17.211 11.727 18.365 1.00 16.80 C ATOM 1043 CD1 LEU B 44 18.010 10.830 17.380 1.00 13.27 C ATOM 1044 CD2 LEU B 44 17.487 13.127 18.004 1.00 16.78 C ATOM 1045 C LEU B 44 13.240 11.686 18.878 1.00 19.31 C ATOM 1046 O LEU B 44 12.671 10.872 19.676 1.00 20.14 O ATOM 1047 N PRO B 45 12.631 12.208 17.811 1.00 19.50 N ATOM 1048 CA PRO B 45 11.253 11.829 17.464 1.00 18.53 C ATOM 1049 CB PRO B 45 11.095 12.393 16.050 1.00 19.47 C ATOM 1050 CG PRO B 45 11.852 13.669 16.125 1.00 21.01 C ATOM 1051 CD PRO B 45 13.126 13.315 16.911 1.00 19.55 C ATOM 1052 C PRO B 45 11.088 10.356 17.383 1.00 18.81 C ATOM 1053 O PRO B 45 11.900 9.668 16.738 1.00 18.41 O ATOM 1054 N THR B 46 10.030 9.850 18.024 1.00 17.89 N ATOM 1055 CA THR B 46 9.768 8.396 17.946 1.00 17.07 C ATOM 1056 CB THR B 46 8.471 8.174 18.746 1.00 17.09 C ATOM 1057 OG1 THR B 46 8.787 8.447 20.115 1.00 19.57 O ATOM 1058 CG2 THR B 46 8.012 6.762 18.685 1.00 16.50 C ATOM 1059 C THR B 46 9.566 7.940 16.514 1.00 15.82 C ATOM 1060 O THR B 46 8.874 8.575 15.812 1.00 15.97 O ATOM 1061 N GLN B 47 10.157 6.802 16.106 1.00 16.61 N ATOM 1062 CA GLN B 47 10.025 6.236 14.760 1.00 16.35 C ATOM 1063 CB GLN B 47 11.191 6.654 13.806 1.00 15.97 C ATOM 1064 CG GLN B 47 11.331 8.137 13.627 1.00 15.74 C ATOM 1065 CD GLN B 47 10.422 8.735 12.589 1.00 16.36 C ATOM 1066 OE1 GLN B 47 10.464 9.941 12.316 1.00 19.21 O ATOM 1067 NE2 GLN B 47 9.621 7.891 11.957 1.00 12.66 N ATOM 1068 C GLN B 47 10.167 4.748 14.960 1.00 18.64 C ATOM 1069 O GLN B 47 10.637 4.282 16.024 1.00 19.41 O ATOM 1070 N SER B 48 9.820 3.991 13.946 1.00 17.51 N ATOM 1071 CA SER B 48 10.089 2.563 13.985 1.00 18.66 C ATOM 1072 CB SER B 48 9.692 1.934 12.669 1.00 18.87 C ATOM 1073 OG SER B 48 8.286 1.895 12.560 1.00 24.62 O ATOM 1074 C SER B 48 11.560 2.216 14.214 1.00 19.09 C ATOM 1075 O SER B 48 12.463 2.977 13.865 1.00 16.65 O ATOM 1076 N TYR B 49 11.769 1.066 14.830 1.00 19.12 N ATOM 1077 CA TYR B 49 13.100 0.512 14.913 1.00 21.11 C ATOM 1078 CB TYR B 49 13.013 -0.868 15.515 1.00 24.31 C ATOM 1079 CG TYR B 49 14.361 -1.477 15.690 1.00 26.04 C ATOM 1080 CD1 TYR B 49 14.890 -2.295 14.687 1.00 31.06 C ATOM 1081 CE1 TYR B 49 16.144 -2.879 14.808 1.00 29.55 C ATOM 1082 CZ TYR B 49 16.895 -2.610 15.923 1.00 30.83 C ATOM 1083 OH TYR B 49 18.127 -3.232 15.979 1.00 34.12 O ATOM 1084 CE2 TYR B 49 16.413 -1.781 16.954 1.00 29.92 C ATOM 1085 CD2 TYR B 49 15.130 -1.202 16.822 1.00 30.52 C ATOM 1086 C TYR B 49 13.781 0.445 13.555 1.00 20.21 C ATOM 1087 O TYR B 49 13.249 -0.091 12.605 1.00 18.96 O ATOM 1088 N GLY B 50 14.970 1.023 13.448 1.00 19.48 N ATOM 1089 CA GLY B 50 15.724 0.942 12.168 1.00 18.07 C ATOM 1090 C GLY B 50 15.786 2.272 11.456 1.00 16.32 C ATOM 1091 O GLY B 50 16.489 2.418 10.458 1.00 16.05 O ATOM 1092 N TYR B 51 15.065 3.268 11.979 1.00 13.52 N ATOM 1093 CA TYR B 51 14.951 4.525 11.286 1.00 12.99 C ATOM 1094 CB TYR B 51 13.807 5.364 11.920 1.00 11.60 C ATOM 1095 CG TYR B 51 13.616 6.715 11.294 1.00 14.90 C ATOM 1096 CD1 TYR B 51 12.646 6.885 10.301 1.00 18.33 C ATOM 1097 CE1 TYR B 51 12.466 8.065 9.703 1.00 19.04 C ATOM 1098 CZ TYR B 51 13.184 9.194 10.079 1.00 12.12 C ATOM 1099 OH TYR B 51 12.876 10.405 9.447 1.00 12.64 O ATOM 1100 CE2 TYR B 51 14.157 9.093 11.045 1.00 16.01 C ATOM 1101 CD2 TYR B 51 14.396 7.831 11.651 1.00 15.73 C ATOM 1102 C TYR B 51 16.282 5.318 11.496 1.00 12.50 C ATOM 1103 O TYR B 51 16.765 6.048 10.623 1.00 12.17 O ATOM 1104 N TYR B 52 16.887 5.066 12.639 1.00 13.28 N ATOM 1105 CA TYR B 52 18.089 5.851 13.013 1.00 12.18 C ATOM 1106 CB TYR B 52 17.892 6.356 14.446 1.00 12.01 C ATOM 1107 CG TYR B 52 16.795 7.393 14.638 1.00 12.96 C ATOM 1108 CD1 TYR B 52 15.664 7.089 15.421 1.00 13.34 C ATOM 1109 CE1 TYR B 52 14.630 8.077 15.620 1.00 11.03 C ATOM 1110 CZ TYR B 52 14.784 9.389 15.054 1.00 14.16 C ATOM 1111 OH TYR B 52 13.816 10.379 15.222 1.00 13.87 O ATOM 1112 CE2 TYR B 52 15.866 9.696 14.298 1.00 11.97 C ATOM 1113 CD2 TYR B 52 16.912 8.699 14.092 1.00 13.56 C ATOM 1114 C TYR B 52 19.282 4.904 12.979 1.00 13.02 C ATOM 1115 O TYR B 52 19.178 3.733 13.401 1.00 11.97 O ATOM 1116 N HIS B 53 20.416 5.418 12.509 1.00 12.20 N ATOM 1117 CA HIS B 53 21.692 4.731 12.632 1.00 13.79 C ATOM 1118 CB HIS B 53 22.195 4.291 11.262 1.00 11.79 C ATOM 1119 CG HIS B 53 21.325 3.241 10.659 1.00 15.19 C ATOM 1120 ND1 HIS B 53 20.241 3.565 9.873 1.00 16.92 N ATOM 1121 CE1 HIS B 53 19.630 2.452 9.483 1.00 20.05 C ATOM 1122 NE2 HIS B 53 20.271 1.421 10.005 1.00 23.42 N ATOM 1123 CD2 HIS B 53 21.342 1.890 10.753 1.00 19.23 C ATOM 1124 C HIS B 53 22.733 5.652 13.226 1.00 13.06 C ATOM 1125 O HIS B 53 22.623 6.879 13.112 1.00 12.02 O ATOM 1126 N GLU B 54 23.729 5.057 13.861 1.00 12.38 N ATOM 1127 CA GLU B 54 24.773 5.955 14.433 1.00 11.77 C ATOM 1128 CB GLU B 54 24.719 5.901 15.919 1.00 14.10 C ATOM 1129 CG GLU B 54 24.928 4.484 16.366 1.00 20.67 C ATOM 1130 CD GLU B 54 25.590 4.478 17.718 1.00 30.06 C ATOM 1131 OE1 GLU B 54 26.141 5.521 18.113 1.00 36.44 O ATOM 1132 OE2 GLU B 54 25.541 3.472 18.403 1.00 35.77 O ATOM 1133 C GLU B 54 26.173 5.645 13.899 1.00 9.99 C ATOM 1134 O GLU B 54 26.461 4.525 13.460 1.00 9.98 O ATOM 1135 N TYR B 55 27.036 6.690 13.913 1.00 9.58 N ATOM 1136 CA TYR B 55 28.392 6.685 13.308 1.00 8.17 C ATOM 1137 CB TYR B 55 28.407 7.354 11.958 1.00 11.14 C ATOM 1138 CG TYR B 55 27.472 6.673 11.038 1.00 8.43 C ATOM 1139 CD1 TYR B 55 27.907 5.658 10.257 1.00 9.90 C ATOM 1140 CE1 TYR B 55 27.059 4.995 9.384 1.00 12.91 C ATOM 1141 CZ TYR B 55 25.723 5.360 9.346 1.00 17.58 C ATOM 1142 OH TYR B 55 24.965 4.655 8.473 1.00 11.80 O ATOM 1143 CE2 TYR B 55 25.212 6.396 10.132 1.00 15.43 C ATOM 1144 CD2 TYR B 55 26.116 7.044 11.003 1.00 15.43 C ATOM 1145 C TYR B 55 29.293 7.501 14.271 1.00 9.69 C ATOM 1146 O TYR B 55 28.849 8.478 14.878 1.00 9.58 O ATOM 1147 N THR B 56 30.545 7.061 14.461 1.00 10.08 N ATOM 1148 CA THR B 56 31.463 7.653 15.420 1.00 8.79 C ATOM 1149 CB THR B 56 32.626 6.700 15.546 1.00 9.70 C ATOM 1150 OG1 THR B 56 32.120 5.415 15.923 1.00 8.75 O ATOM 1151 CG2 THR B 56 33.542 7.129 16.659 1.00 10.24 C ATOM 1152 C THR B 56 31.977 8.937 14.787 1.00 9.22 C ATOM 1153 O THR B 56 32.293 8.948 13.627 1.00 8.50 O ATOM 1154 N VAL B 57 32.135 9.984 15.582 1.00 8.89 N ATOM 1155 CA VAL B 57 32.877 11.173 15.185 1.00 11.30 C ATOM 1156 CB VAL B 57 32.098 12.427 15.548 1.00 12.01 C ATOM 1157 CG1 VAL B 57 33.013 13.724 15.262 1.00 15.98 C ATOM 1158 CG2 VAL B 57 30.855 12.538 14.645 1.00 10.56 C ATOM 1159 C VAL B 57 34.139 11.072 16.061 1.00 11.50 C ATOM 1160 O VAL B 57 34.010 10.988 17.267 1.00 10.86 O ATOM 1161 N ILE B 58 35.314 10.881 15.436 1.00 9.60 N ATOM 1162 CA ILE B 58 36.486 10.481 16.247 1.00 11.14 C ATOM 1163 CB ILE B 58 37.623 10.186 15.231 1.00 10.71 C ATOM 1164 CG1 ILE B 58 37.344 8.862 14.573 1.00 11.37 C ATOM 1165 CD1 ILE B 58 38.497 8.378 13.723 1.00 15.79 C ATOM 1166 CG2 ILE B 58 39.029 10.189 15.909 1.00 14.41 C ATOM 1167 C ILE B 58 36.841 11.681 17.060 1.00 9.57 C ATOM 1168 O ILE B 58 36.628 12.796 16.571 1.00 9.81 O ATOM 1169 N THR B 59 37.291 11.465 18.285 1.00 8.52 N ATOM 1170 CA THR B 59 37.789 12.544 19.125 1.00 10.59 C ATOM 1171 CB THR B 59 37.222 12.399 20.537 1.00 11.93 C ATOM 1172 OG1 THR B 59 35.794 12.577 20.534 1.00 11.89 O ATOM 1173 CG2 THR B 59 37.768 13.549 21.400 1.00 13.37 C ATOM 1174 C THR B 59 39.306 12.334 19.214 1.00 12.57 C ATOM 1175 O THR B 59 39.704 11.357 19.848 1.00 10.99 O ATOM 1176 N PRO B 60 40.131 13.230 18.654 1.00 12.69 N ATOM 1177 CA PRO B 60 41.612 13.108 18.790 1.00 14.29 C ATOM 1178 CB PRO B 60 42.143 14.353 18.075 1.00 15.63 C ATOM 1179 CG PRO B 60 41.008 14.720 17.102 1.00 16.58 C ATOM 1180 CD PRO B 60 39.739 14.427 17.880 1.00 14.96 C ATOM 1181 C PRO B 60 41.965 13.262 20.275 1.00 13.65 C ATOM 1182 O PRO B 60 41.343 14.094 20.987 1.00 16.40 O ATOM 1183 N GLY B 61 42.879 12.444 20.737 1.00 14.12 N ATOM 1184 CA GLY B 61 43.308 12.441 22.116 1.00 16.16 C ATOM 1185 C GLY B 61 42.608 11.377 22.963 1.00 17.85 C ATOM 1186 O GLY B 61 43.216 10.926 23.959 1.00 19.03 O ATOM 1187 N ALA B 62 41.386 10.943 22.568 1.00 17.22 N ATOM 1188 CA ALA B 62 40.604 9.990 23.387 1.00 17.19 C ATOM 1189 CB ALA B 62 39.208 9.943 22.937 1.00 17.42 C ATOM 1190 C ALA B 62 41.219 8.619 23.271 1.00 17.05 C ATOM 1191 O ALA B 62 41.820 8.352 22.231 1.00 17.38 O ATOM 1192 N ARG B 63 41.124 7.790 24.331 1.00 15.91 N ATOM 1193 CA ARG B 63 41.665 6.451 24.245 1.00 16.10 C ATOM 1194 CB ARG B 63 42.386 5.983 25.555 1.00 17.72 C ATOM 1195 CG ARG B 63 41.550 6.100 26.808 1.00 19.13 C ATOM 1196 CD ARG B 63 41.870 5.101 27.964 1.00 18.72 C ATOM 1197 NE ARG B 63 42.237 3.803 27.433 1.00 18.45 N ATOM 1198 CZ ARG B 63 41.403 2.814 27.205 1.00 17.34 C ATOM 1199 NH1 ARG B 63 40.119 2.904 27.576 1.00 16.98 N ATOM 1200 NH2 ARG B 63 41.897 1.700 26.636 1.00 21.82 N ATOM 1201 C ARG B 63 40.574 5.508 23.830 1.00 14.05 C ATOM 1202 O ARG B 63 40.829 4.309 23.550 1.00 13.25 O ATOM 1203 N THR B 64 39.324 5.997 23.869 1.00 13.50 N ATOM 1204 CA THR B 64 38.202 5.225 23.361 1.00 12.52 C ATOM 1205 CB THR B 64 37.078 5.094 24.424 1.00 12.43 C ATOM 1206 OG1 THR B 64 36.443 6.372 24.576 1.00 13.40 O ATOM 1207 CG2 THR B 64 37.633 4.729 25.794 1.00 14.53 C ATOM 1208 C THR B 64 37.561 5.854 22.128 1.00 11.85 C ATOM 1209 O THR B 64 38.043 6.825 21.545 1.00 13.11 O ATOM 1210 N ARG B 65 36.468 5.236 21.676 1.00 12.38 N ATOM 1211 CA ARG B 65 35.635 5.877 20.670 1.00 13.74 C ATOM 1212 CB ARG B 65 34.549 4.911 20.312 1.00 13.07 C ATOM 1213 CG ARG B 65 34.873 4.134 19.053 1.00 18.30 C ATOM 1214 CD ARG B 65 33.546 3.782 18.223 1.00 22.57 C ATOM 1215 NE ARG B 65 32.591 3.021 19.016 1.00 25.79 N ATOM 1216 CZ ARG B 65 31.257 3.096 18.881 1.00 21.99 C ATOM 1217 NH1 ARG B 65 30.755 3.886 17.962 1.00 16.75 N ATOM 1218 NH2 ARG B 65 30.440 2.332 19.612 1.00 22.16 N ATOM 1219 C ARG B 65 34.988 7.217 21.147 1.00 13.74 C ATOM 1220 O ARG B 65 34.389 7.976 20.327 1.00 14.34 O ATOM 1221 N GLY B 66 35.074 7.498 22.431 1.00 11.45 N ATOM 1222 CA GLY B 66 34.586 8.784 23.034 1.00 12.45 C ATOM 1223 C GLY B 66 33.101 8.978 22.896 1.00 13.77 C ATOM 1224 O GLY B 66 32.326 7.983 22.833 1.00 14.60 O ATOM 1225 N THR B 67 32.681 10.245 22.864 1.00 11.66 N ATOM 1226 CA THR B 67 31.267 10.491 23.110 1.00 13.22 C ATOM 1227 CB THR B 67 31.047 11.245 24.392 1.00 10.96 C ATOM 1228 OG1 THR B 67 31.694 12.503 24.360 1.00 14.43 O ATOM 1229 CG2 THR B 67 31.675 10.443 25.615 1.00 18.25 C ATOM 1230 C THR B 67 30.595 11.207 21.986 1.00 12.37 C ATOM 1231 O THR B 67 29.419 11.512 22.101 1.00 14.18 O ATOM 1232 N ARG B 68 31.315 11.472 20.896 1.00 9.70 N ATOM 1233 CA ARG B 68 30.720 12.180 19.797 1.00 9.28 C ATOM 1234 CB ARG B 68 31.756 13.137 19.205 1.00 12.14 C ATOM 1235 CG ARG B 68 32.409 14.031 20.312 1.00 10.50 C ATOM 1236 CD ARG B 68 33.467 14.940 19.787 1.00 11.05 C ATOM 1237 NE ARG B 68 33.943 15.751 20.929 1.00 13.72 N ATOM 1238 CZ ARG B 68 34.887 16.640 20.807 1.00 14.72 C ATOM 1239 NH1 ARG B 68 35.527 16.755 19.642 1.00 11.07 N ATOM 1240 NH2 ARG B 68 35.193 17.428 21.818 1.00 19.89 N ATOM 1241 C ARG B 68 30.190 11.243 18.723 1.00 10.69 C ATOM 1242 O ARG B 68 30.892 10.313 18.279 1.00 7.90 O ATOM 1243 N ARG B 69 29.008 11.602 18.176 1.00 9.98 N ATOM 1244 CA ARG B 69 28.378 10.697 17.234 1.00 9.58 C ATOM 1245 CB ARG B 69 27.405 9.760 17.965 1.00 9.12 C ATOM 1246 CG ARG B 69 28.022 8.777 19.058 1.00 8.76 C ATOM 1247 CD ARG B 69 28.808 7.540 18.418 1.00 9.93 C ATOM 1248 NE ARG B 69 29.306 6.717 19.486 1.00 13.21 N ATOM 1249 CZ ARG B 69 30.454 6.895 20.156 1.00 20.56 C ATOM 1250 NH1 ARG B 69 30.753 6.054 21.158 1.00 18.16 N ATOM 1251 NH2 ARG B 69 31.270 7.882 19.846 1.00 14.64 N ATOM 1252 C ARG B 69 27.568 11.514 16.323 1.00 8.86 C ATOM 1253 O ARG B 69 27.129 12.602 16.706 1.00 9.74 O ATOM 1254 N ILE B 70 27.367 10.997 15.119 1.00 10.62 N ATOM 1255 CA ILE B 70 26.315 11.527 14.209 1.00 8.49 C ATOM 1256 CB ILE B 70 26.863 11.887 12.894 1.00 9.17 C ATOM 1257 CG1 ILE B 70 27.681 13.210 13.076 1.00 10.38 C ATOM 1258 CD1 ILE B 70 28.377 13.746 11.890 1.00 17.13 C ATOM 1259 CG2 ILE B 70 25.645 12.215 11.838 1.00 11.71 C ATOM 1260 C ILE B 70 25.202 10.432 14.124 1.00 10.63 C ATOM 1261 O ILE B 70 25.545 9.257 13.969 1.00 10.55 O ATOM 1262 N ILE B 71 23.942 10.829 14.324 1.00 9.29 N ATOM 1263 CA ILE B 71 22.821 9.916 14.205 1.00 12.94 C ATOM 1264 CB ILE B 71 21.804 10.001 15.407 1.00 12.12 C ATOM 1265 CG1 ILE B 71 22.304 9.433 16.709 1.00 17.82 C ATOM 1266 CD1 ILE B 71 23.695 8.903 16.749 1.00 23.47 C ATOM 1267 CG2 ILE B 71 20.453 9.266 15.023 1.00 14.10 C ATOM 1268 C ILE B 71 22.150 10.359 12.944 1.00 13.26 C ATOM 1269 O ILE B 71 21.899 11.554 12.752 1.00 12.80 O ATOM 1270 N CYS B 72 21.902 9.435 12.025 1.00 14.03 N ATOM 1271 CA CYS B 72 21.203 9.858 10.788 1.00 15.13 C ATOM 1272 CB CYS B 72 21.824 9.190 9.580 1.00 15.56 C ATOM 1273 SG ACYS B 72 21.672 7.473 9.742 0.70 18.19 S ATOM 1274 SG BCYS B 72 23.364 9.767 9.024 0.30 18.46 S ATOM 1275 C CYS B 72 19.750 9.341 10.880 1.00 16.38 C ATOM 1276 O CYS B 72 19.495 8.262 11.482 1.00 15.12 O ATOM 1277 N GLY B 73 18.824 10.104 10.276 1.00 14.68 N ATOM 1278 CA GLY B 73 17.421 9.682 10.171 1.00 16.43 C ATOM 1279 C GLY B 73 17.164 9.422 8.705 1.00 17.73 C ATOM 1280 O GLY B 73 18.009 9.734 7.884 1.00 17.80 O ATOM 1281 N GLU B 74 16.016 8.855 8.328 1.00 20.05 N ATOM 1282 CA GLU B 74 15.858 8.487 6.903 1.00 22.61 C ATOM 1283 CB GLU B 74 14.720 7.474 6.714 1.00 23.01 C ATOM 1284 CG GLU B 74 14.984 6.150 7.414 1.00 23.76 C ATOM 1285 CD GLU B 74 13.870 5.134 7.181 1.00 26.71 C ATOM 1286 OE1 GLU B 74 12.751 5.542 6.722 1.00 33.07 O ATOM 1287 OE2 GLU B 74 14.131 3.946 7.459 1.00 32.22 O ATOM 1288 C GLU B 74 15.613 9.674 6.005 1.00 24.41 C ATOM 1289 O GLU B 74 15.813 9.566 4.811 1.00 25.39 O ATOM 1290 N ALA B 75 15.193 10.810 6.562 1.00 25.57 N ATOM 1291 CA ALA B 75 14.827 11.977 5.754 1.00 26.02 C ATOM 1292 CB ALA B 75 13.992 12.954 6.583 1.00 27.47 C ATOM 1293 C ALA B 75 16.098 12.640 5.241 1.00 27.06 C ATOM 1294 O ALA B 75 17.156 12.389 5.759 1.00 25.77 O ATOM 1295 N THR B 76 15.999 13.430 4.184 1.00 27.58 N ATOM 1296 CA THR B 76 17.210 13.984 3.553 1.00 27.90 C ATOM 1297 CB THR B 76 16.868 14.640 2.221 1.00 29.80 C ATOM 1298 OG1 THR B 76 15.921 15.713 2.454 1.00 32.13 O ATOM 1299 CG2 THR B 76 16.124 13.655 1.343 1.00 29.70 C ATOM 1300 C THR B 76 17.756 15.030 4.484 1.00 27.18 C ATOM 1301 O THR B 76 16.981 15.814 5.038 1.00 27.06 O ATOM 1302 N GLN B 77 19.080 15.028 4.690 1.00 26.50 N ATOM 1303 CA GLN B 77 19.719 16.042 5.537 1.00 25.18 C ATOM 1304 CB GLN B 77 19.172 17.467 5.230 1.00 25.55 C ATOM 1305 CG GLN B 77 19.292 17.898 3.795 1.00 29.89 C ATOM 1306 CD GLN B 77 20.718 18.122 3.461 1.00 32.68 C ATOM 1307 OE1 GLN B 77 21.434 17.180 3.153 1.00 36.90 O ATOM 1308 NE2 GLN B 77 21.164 19.361 3.581 1.00 35.08 N ATOM 1309 C GLN B 77 19.400 15.830 6.982 1.00 22.81 C ATOM 1310 O GLN B 77 19.739 16.699 7.791 1.00 21.68 O ATOM 1311 N GLU B 78 18.712 14.731 7.316 1.00 20.41 N ATOM 1312 CA GLU B 78 18.348 14.501 8.716 1.00 18.27 C ATOM 1313 CB GLU B 78 17.110 13.645 8.864 1.00 17.77 C ATOM 1314 CG GLU B 78 16.615 13.631 10.315 1.00 15.56 C ATOM 1315 CD GLU B 78 15.400 12.724 10.551 1.00 14.81 C ATOM 1316 OE1 GLU B 78 14.958 12.672 11.710 1.00 22.34 O ATOM 1317 OE2 GLU B 78 14.887 12.066 9.644 1.00 17.71 O ATOM 1318 C GLU B 78 19.510 13.851 9.418 1.00 17.23 C ATOM 1319 O GLU B 78 19.654 12.617 9.443 1.00 17.22 O ATOM 1320 N ASP B 79 20.379 14.691 9.937 1.00 16.30 N ATOM 1321 CA ASP B 79 21.608 14.214 10.572 1.00 15.69 C ATOM 1322 CB ASP B 79 22.791 14.593 9.669 1.00 17.18 C ATOM 1323 CG ASP B 79 22.726 13.866 8.332 1.00 21.29 C ATOM 1324 OD1 ASP B 79 22.626 14.517 7.279 1.00 21.29 O ATOM 1325 OD2 ASP B 79 22.699 12.637 8.263 1.00 23.46 O ATOM 1326 C ASP B 79 21.710 14.985 11.869 1.00 13.83 C ATOM 1327 O ASP B 79 21.624 16.228 11.854 1.00 14.99 O ATOM 1328 N TYR B 80 21.862 14.275 12.983 1.00 12.19 N ATOM 1329 CA TYR B 80 21.950 14.906 14.306 1.00 11.56 C ATOM 1330 CB TYR B 80 20.989 14.218 15.327 1.00 10.91 C ATOM 1331 CG TYR B 80 19.543 14.259 14.813 1.00 12.02 C ATOM 1332 CD1 TYR B 80 18.979 13.164 14.113 1.00 14.54 C ATOM 1333 CE1 TYR B 80 17.654 13.220 13.623 1.00 15.78 C ATOM 1334 CZ TYR B 80 16.909 14.405 13.821 1.00 16.50 C ATOM 1335 OH TYR B 80 15.615 14.544 13.362 1.00 18.60 O ATOM 1336 CE2 TYR B 80 17.457 15.508 14.469 1.00 13.99 C ATOM 1337 CD2 TYR B 80 18.784 15.414 14.991 1.00 14.07 C ATOM 1338 C TYR B 80 23.352 14.732 14.826 1.00 11.75 C ATOM 1339 O TYR B 80 23.903 13.651 14.653 1.00 10.55 O ATOM 1340 N TYR B 81 23.814 15.718 15.599 1.00 10.29 N ATOM 1341 CA TYR B 81 25.114 15.563 16.204 1.00 11.99 C ATOM 1342 CB TYR B 81 25.972 16.815 15.943 1.00 11.41 C ATOM 1343 CG TYR B 81 27.269 16.763 16.687 1.00 13.87 C ATOM 1344 CD1 TYR B 81 27.427 17.474 17.866 1.00 10.11 C ATOM 1345 CE1 TYR B 81 28.663 17.510 18.542 1.00 15.90 C ATOM 1346 CZ TYR B 81 29.733 16.803 18.065 1.00 15.44 C ATOM 1347 OH TYR B 81 30.935 16.854 18.806 1.00 17.16 O ATOM 1348 CE2 TYR B 81 29.627 16.068 16.893 1.00 15.10 C ATOM 1349 CD2 TYR B 81 28.378 16.077 16.175 1.00 13.38 C ATOM 1350 C TYR B 81 24.878 15.475 17.682 1.00 11.86 C ATOM 1351 O TYR B 81 24.085 16.274 18.241 1.00 12.51 O ATOM 1352 N THR B 82 25.632 14.611 18.324 1.00 11.34 N ATOM 1353 CA THR B 82 25.670 14.613 19.809 1.00 11.92 C ATOM 1354 CB THR B 82 24.879 13.422 20.391 1.00 12.48 C ATOM 1355 OG1 THR B 82 25.010 13.424 21.858 1.00 10.98 O ATOM 1356 CG2 THR B 82 25.514 12.159 20.001 1.00 13.31 C ATOM 1357 C THR B 82 27.092 14.552 20.301 1.00 10.50 C ATOM 1358 O THR B 82 27.870 13.825 19.747 1.00 12.20 O ATOM 1359 N GLY B 83 27.484 15.422 21.227 1.00 10.87 N ATOM 1360 CA GLY B 83 28.857 15.403 21.725 1.00 11.15 C ATOM 1361 C GLY B 83 28.916 14.858 23.115 1.00 14.83 C ATOM 1362 O GLY B 83 29.992 14.801 23.697 1.00 14.69 O ATOM 1363 N ASP B 84 27.774 14.385 23.655 1.00 14.51 N ATOM 1364 CA ASP B 84 27.743 13.892 25.030 1.00 15.21 C ATOM 1365 CB ASP B 84 27.058 14.904 25.920 1.00 15.89 C ATOM 1366 CG ASP B 84 25.691 15.340 25.358 1.00 16.05 C ATOM 1367 OD1 ASP B 84 25.212 16.409 25.758 1.00 19.45 O ATOM 1368 OD2 ASP B 84 25.037 14.717 24.470 1.00 17.65 O ATOM 1369 C ASP B 84 27.070 12.519 25.115 1.00 16.78 C ATOM 1370 O ASP B 84 26.341 12.203 26.090 1.00 17.87 O ATOM 1371 N HIS B 85 27.308 11.694 24.107 1.00 18.72 N ATOM 1372 CA HIS B 85 26.871 10.282 24.174 1.00 22.28 C ATOM 1373 CB HIS B 85 27.549 9.497 25.315 1.00 23.95 C ATOM 1374 CG HIS B 85 27.686 8.030 25.005 1.00 28.07 C ATOM 1375 ND1 HIS B 85 26.735 7.100 25.381 1.00 29.36 N ATOM 1376 CE1 HIS B 85 27.084 5.908 24.931 1.00 29.25 C ATOM 1377 NE2 HIS B 85 28.238 6.024 24.299 1.00 33.65 N ATOM 1378 CD2 HIS B 85 28.634 7.344 24.321 1.00 33.23 C ATOM 1379 C HIS B 85 25.359 10.164 24.320 1.00 22.85 C ATOM 1380 O HIS B 85 24.828 9.421 25.200 1.00 22.08 O ATOM 1381 N TYR B 86 24.674 10.908 23.469 1.00 21.85 N ATOM 1382 CA TYR B 86 23.206 10.801 23.317 1.00 23.46 C ATOM 1383 CB TYR B 86 22.728 9.323 23.168 1.00 25.37 C ATOM 1384 CG TYR B 86 23.648 8.423 22.337 1.00 26.02 C ATOM 1385 CD1 TYR B 86 23.826 8.622 20.989 1.00 24.30 C ATOM 1386 CE1 TYR B 86 24.627 7.806 20.254 1.00 29.88 C ATOM 1387 CZ TYR B 86 25.316 6.766 20.878 1.00 32.27 C ATOM 1388 OH TYR B 86 26.173 5.940 20.197 1.00 31.91 O ATOM 1389 CE2 TYR B 86 25.177 6.558 22.210 1.00 32.85 C ATOM 1390 CD2 TYR B 86 24.339 7.376 22.938 1.00 29.02 C ATOM 1391 C TYR B 86 22.394 11.522 24.391 1.00 22.77 C ATOM 1392 O TYR B 86 21.196 11.316 24.470 1.00 25.05 O ATOM 1393 N ALA B 87 23.013 12.357 25.199 1.00 20.85 N ATOM 1394 CA ALA B 87 22.244 13.177 26.164 1.00 20.92 C ATOM 1395 CB ALA B 87 23.186 13.800 27.305 1.00 20.76 C ATOM 1396 C ALA B 87 21.451 14.252 25.467 1.00 20.31 C ATOM 1397 O ALA B 87 20.282 14.418 25.762 1.00 20.94 O ATOM 1398 N THR B 88 22.075 14.981 24.542 1.00 17.08 N ATOM 1399 CA THR B 88 21.421 15.999 23.778 1.00 18.42 C ATOM 1400 CB THR B 88 21.817 17.426 24.284 1.00 20.32 C ATOM 1401 OG1 THR B 88 23.185 17.707 23.962 1.00 18.05 O ATOM 1402 CG2 THR B 88 21.856 17.466 25.794 1.00 23.34 C ATOM 1403 C THR B 88 21.855 15.833 22.295 1.00 17.44 C ATOM 1404 O THR B 88 22.917 15.247 21.998 1.00 17.26 O ATOM 1405 N PHE B 89 21.048 16.377 21.394 1.00 17.14 N ATOM 1406 CA PHE B 89 21.300 16.322 19.995 1.00 15.32 C ATOM 1407 CB PHE B 89 20.318 15.325 19.352 1.00 16.04 C ATOM 1408 CG PHE B 89 20.606 13.884 19.682 1.00 15.10 C ATOM 1409 CD1 PHE B 89 19.971 13.276 20.776 1.00 16.68 C ATOM 1410 CE1 PHE B 89 20.224 11.934 21.099 1.00 16.98 C ATOM 1411 CZ PHE B 89 21.051 11.195 20.318 1.00 15.13 C ATOM 1412 CE2 PHE B 89 21.721 11.768 19.251 1.00 16.79 C ATOM 1413 CD2 PHE B 89 21.471 13.142 18.913 1.00 17.13 C ATOM 1414 C PHE B 89 20.997 17.663 19.406 1.00 16.06 C ATOM 1415 O PHE B 89 20.039 18.324 19.840 1.00 14.11 O ATOM 1416 N SER B 90 21.780 18.021 18.380 1.00 14.80 N ATOM 1417 CA SER B 90 21.476 19.147 17.521 1.00 15.84 C ATOM 1418 CB SER B 90 22.646 20.091 17.580 1.00 17.71 C ATOM 1419 OG SER B 90 22.570 20.828 18.763 1.00 23.05 O ATOM 1420 C SER B 90 21.332 18.670 16.096 1.00 14.05 C ATOM 1421 O SER B 90 22.011 17.749 15.709 1.00 14.05 O ATOM 1422 N LEU B 91 20.458 19.308 15.325 1.00 13.26 N ATOM 1423 CA LEU B 91 20.251 18.960 13.918 1.00 13.48 C ATOM 1424 CB LEU B 91 18.901 19.525 13.437 1.00 14.34 C ATOM 1425 CG LEU B 91 18.748 19.345 11.911 1.00 17.94 C ATOM 1426 CD1 LEU B 91 18.753 17.807 11.603 1.00 20.74 C ATOM 1427 CD2 LEU B 91 17.475 20.047 11.393 1.00 21.71 C ATOM 1428 C LEU B 91 21.405 19.687 13.185 1.00 12.95 C ATOM 1429 O LEU B 91 21.638 20.893 13.388 1.00 11.41 O ATOM 1430 N ILE B 92 22.105 18.997 12.299 1.00 12.20 N ATOM 1431 CA ILE B 92 23.189 19.632 11.644 1.00 13.73 C ATOM 1432 CB ILE B 92 24.235 18.591 11.206 1.00 13.05 C ATOM 1433 CG1 ILE B 92 24.737 17.825 12.407 1.00 11.55 C ATOM 1434 CD1 ILE B 92 25.674 16.660 11.878 1.00 13.55 C ATOM 1435 CG2 ILE B 92 25.417 19.314 10.532 1.00 13.07 C ATOM 1436 C ILE B 92 22.713 20.442 10.406 1.00 15.25 C ATOM 1437 O ILE B 92 21.978 19.907 9.516 1.00 15.59 O ATOM 1438 N ASP B 93 23.136 21.711 10.330 1.00 14.40 N ATOM 1439 CA ASP B 93 22.871 22.498 9.114 1.00 15.09 C ATOM 1440 CB ASP B 93 22.587 23.953 9.506 1.00 14.11 C ATOM 1441 CG ASP B 93 22.202 24.781 8.340 1.00 17.79 C ATOM 1442 OD1 ASP B 93 21.583 25.857 8.591 1.00 19.46 O ATOM 1443 OD2 ASP B 93 22.438 24.425 7.156 1.00 16.14 O ATOM 1444 C ASP B 93 24.126 22.505 8.239 1.00 14.81 C ATOM 1445 O ASP B 93 25.099 23.134 8.582 1.00 14.88 O ATOM 1446 N GLN B 94 24.127 21.815 7.118 1.00 15.29 N ATOM 1447 CA GLN B 94 25.353 21.677 6.335 1.00 16.97 C ATOM 1448 CB GLN B 94 25.309 20.382 5.507 1.00 15.39 C ATOM 1449 CG GLN B 94 24.888 19.159 6.349 1.00 19.72 C ATOM 1450 CD GLN B 94 25.062 17.835 5.614 1.00 23.61 C ATOM 1451 OE1 GLN B 94 24.350 16.851 5.938 1.00 30.65 O ATOM 1452 NE2 GLN B 94 25.954 17.799 4.602 1.00 27.93 N ATOM 1453 C GLN B 94 25.697 22.902 5.457 1.00 16.41 C ATOM 1454 O GLN B 94 26.693 22.852 4.723 1.00 18.88 O ATOM 1455 N THR B 95 24.854 23.936 5.503 1.00 16.62 N ATOM 1456 CA THR B 95 25.001 25.082 4.641 1.00 17.41 C ATOM 1457 CB THR B 95 23.659 25.530 4.055 1.00 16.83 C ATOM 1458 OG1 THR B 95 22.825 26.063 5.077 1.00 19.11 O ATOM 1459 CG2 THR B 95 22.852 24.325 3.481 1.00 22.15 C ATOM 1460 C THR B 95 25.648 26.265 5.374 1.00 15.42 C ATOM 1461 O THR B 95 25.879 27.344 4.787 1.00 14.78 O ATOM 1462 N CYS B 96 25.931 26.099 6.645 1.00 16.31 N ATOM 1463 CA CYS B 96 26.683 27.168 7.385 1.00 16.02 C ATOM 1464 CB CYS B 96 25.762 28.034 8.248 1.00 16.13 C ATOM 1465 SG CYS B 96 24.795 27.086 9.463 1.00 17.49 S ATOM 1466 C CYS B 96 27.879 26.625 8.226 1.00 16.90 C ATOM 1467 O CYS B 96 28.060 25.375 8.277 1.00 15.56 O END